From 917acbfbb76ebcf4c91b838df5d202a8b72c216f Mon Sep 17 00:00:00 2001 From: Joshua Klein Date: Sat, 27 Jul 2024 21:05:52 -0400 Subject: [PATCH] Added support for braced modifications --- implementations/python/mzpaf/annotation.py | 25 ++- specification/grammars/annotation.lark | 2 +- specification/grammars/grammar.py | 157 ++++++++---------- specification/grammars/regex_ecma.js | 2 +- specification/grammars/regex_sre.py | 11 +- .../grammars/schema_images/Annotation.svg | 2 +- 6 files changed, 97 insertions(+), 102 deletions(-) diff --git a/implementations/python/mzpaf/annotation.py b/implementations/python/mzpaf/annotation.py index 4ac92a1..7f943bc 100644 --- a/implementations/python/mzpaf/annotation.py +++ b/implementations/python/mzpaf/annotation.py @@ -23,7 +23,8 @@ JSONDict = Dict[str, Union[List, Dict, int, float, str, bool, None]] -annotation_pattern = re.compile(r""" +annotation_pattern = re.compile( + r""" ^(?P&)? (?:(?P\d+)@)? (?:(?:(?P[axbycz]\.?)(?P\d+)(?:\{(?P.+)\})?)| @@ -46,7 +47,7 @@ (?:(?:[A-Z][A-Za-z0-9]*)| (?:\[ (?: - (?:[A-Za-z0-9:\.]+) + (?:[A-Za-z0-9:\.]+)(?:\[(?:[A-Za-z0-9\.:\-\ ]+)\])? ) \]) ) @@ -56,7 +57,9 @@ (?:\^(?P[+-]?\d+))? (?:/(?P[+-]?\d+(?:\.\d+)?)(?Pppm)?)? (?:\*(?P\d*(?:\.\d+)?))? -""", re.X) +""", + re.X, +) # At the time of first writing, this pattern could be translated into the equivalent # ECMAScript compliant regex: @@ -943,6 +946,22 @@ def _coerce_confidence(self, data: Dict[str, str]) -> float: return confidence def parse_annotation(self, annotation_string: str, **kwargs) -> List[IonAnnotationBase]: + """ + Parse a string into one or more :class:`IonAnnotationBase` instances. + + Parameters + ---------- + annotation_string : str + The string to be parsed + **kwargs + Passed to the :meth:`_dispatch` which in turn creates :class:`IonAnnotationBase` + instances + + Returns + ------- + list[:class:`IonAnnotationBase`] : + The annotations parsed + """ if not annotation_string: return [] diff --git a/specification/grammars/annotation.lark b/specification/grammars/annotation.lark index 6cd0571..dc9e35f 100644 --- a/specification/grammars/annotation.lark +++ b/specification/grammars/annotation.lark @@ -22,7 +22,7 @@ CHARACTER : LETTER | DIGIT | SYMBOL CONTENT_IN_BRACES : LETTER | DIGIT | SYMBOL_WITHOUT_CLOSING_BRACE | " " -BRACE_ENCLOSED_CONTENT : "[" (CONTENT_IN_BRACES)+ "]" +BRACE_ENCLOSED_CONTENT : "[" (CONTENT_IN_BRACES)+ ("[" (CONTENT_IN_BRACES | " ")+ "]")? "]" ANALYTE_REFERENCE : (CHARACTER)+ diff --git a/specification/grammars/grammar.py b/specification/grammars/grammar.py index d1915b0..88c9654 100644 --- a/specification/grammars/grammar.py +++ b/specification/grammars/grammar.py @@ -3,8 +3,18 @@ import string -from railroad import (Diagram, Choice, Group, Optional, Terminal, - NonTerminal, Sequence, OneOrMore, ZeroOrMore, Stack) +from railroad import ( + Diagram, + Choice, + Group, + Optional, + Terminal, + NonTerminal, + Sequence, + OneOrMore, + ZeroOrMore, + Stack, +) import io from pyteomics.mass import std_aa_comp @@ -25,7 +35,7 @@ ATOM_COUNT = Sequence( NonTerminal("UPPER_CASE_LETTER"), ZeroOrMore(NonTerminal("LOWER_CASE_LETTER")), - OneOrMore(NonTerminal("DIGIT")) + OneOrMore(NonTerminal("DIGIT")), ) NUMBER = Sequence( @@ -35,9 +45,9 @@ Sequence( "e", OneOrMore(NonTerminal("DIGIT")), - Optional(Sequence(".", OneOrMore(NonTerminal("DIGIT")))) + Optional(Sequence(".", OneOrMore(NonTerminal("DIGIT")))), ) - ) + ), ) ORDINAL = OneOrMore(NonTerminal("DIGIT")) @@ -46,7 +56,7 @@ 0, NonTerminal("DIGIT"), NonTerminal("UPPER_CASE_LETTER"), - NonTerminal("LOWER_CASE_LETTER") + NonTerminal("LOWER_CASE_LETTER"), ) AMINO_ACID = Choice(0, *list(std_aa_comp)[:-2]) @@ -56,7 +66,14 @@ BraceEnclosedContent = Sequence( Terminal("["), OneOrMore(Choice(0, NonTerminal("CHARACTER"), NonTerminal("SYMBOL"))), - Terminal("]") + Optional( + Sequence( + Terminal("["), + OneOrMore(Choice(0, NonTerminal("CHARACTER"), NonTerminal("SYMBOL"), Terminal(" "))), + Terminal("]"), + ) + ), + Terminal("]"), ) IsAuxiliary = Group(Optional(Terminal("&")), "Is Auxiliary") @@ -72,21 +89,15 @@ Optional( Sequence( Terminal("{"), - Group(OneOrMore(NonTerminal("ANY")), 'ProForma 2.0 Sequence'), - Terminal("}") + Group(OneOrMore(NonTerminal("ANY")), "ProForma 2.0 Sequence"), + Terminal("}"), ) - ) + ), ), "Peptide Ion", ) -ReporterIon = Group( - Sequence( - Terminal("r"), - BraceEnclosedContent - ), - "Reporter Ion" -) +ReporterIon = Group(Sequence(Terminal("r"), BraceEnclosedContent), "Reporter Ion") InternalIon = Group( Sequence( @@ -96,9 +107,9 @@ NonTerminal("ORDINAL"), Sequence( Terminal("{"), - Group(NonTerminal("ANY"), 'ProForma 2.0 Sequence'), - Terminal("}") - ) + Group(NonTerminal("ANY"), "ProForma 2.0 Sequence"), + Terminal("}"), + ), ), "Internal Peptide Ion", ) @@ -108,48 +119,36 @@ "Immonium Ion", ) -PrecursorIon = Group( - Terminal("p"), - "Precursor Ion" -) +PrecursorIon = Group(Terminal("p"), "Precursor Ion") -ChemicalFormula = OneOrMore(NonTerminal('ATOM_COUNT')) +ChemicalFormula = OneOrMore(NonTerminal("ATOM_COUNT")) FormulaIon = Group( - Sequence( - Terminal("f"), - Terminal('{'), - ChemicalFormula, - Terminal('}') - ), - "Formula Ion" + Sequence(Terminal("f"), Terminal("{"), ChemicalFormula, Terminal("}")), + "Formula Ion", ) NamedCompound = Group( Sequence( Terminal("_"), - Terminal('{'), + Terminal("{"), OneOrMore(NonTerminal("CHARACTER")), - Terminal('}'), + Terminal("}"), ), - "Named Compound" + "Named Compound", ) UnknownIon = Group( - Sequence(Terminal("?"), Optional(OneOrMore(NonTerminal("DIGIT")))), - "Unknown Ion" + Sequence(Terminal("?"), Optional(OneOrMore(NonTerminal("DIGIT")))), "Unknown Ion" ) SMILESIon = Group( Sequence( - Terminal("s"), - Terminal('{'), - OneOrMore(Terminal("/[^}]/")), - Terminal('}') + Terminal("s"), Terminal("{"), OneOrMore(Terminal("/[^}]/")), Terminal("}") ), - "SMILES Ion" + "SMILES Ion", ) IonType = Group( @@ -165,15 +164,12 @@ SMILESIon, UnknownIon, ), - "Ion Type" + "Ion Type", ) NeutralLoss = Group( - Sequence( - NonTerminal('SIGN'), - Choice(0, ChemicalFormula, BraceEnclosedContent) - ), - "Neutral Loss(es)" + Sequence(NonTerminal("SIGN"), Choice(0, ChemicalFormula, BraceEnclosedContent)), + "Neutral Loss(es)", ) Isotope = Group( @@ -182,64 +178,41 @@ Optional(NonTerminal("ORDINAL")), Terminal("i"), ), - "Isotope" + "Isotope", ) -ChargeState = Group( - Sequence( - "^", - NonTerminal("ORDINAL") - ), - "Charge State" -) +ChargeState = Group(Sequence("^", NonTerminal("ORDINAL")), "Charge State") Adducts = Group( Sequence( - '[', - 'M', + "[", + "M", OneOrMore( Sequence( - NonTerminal('SIGN'), + NonTerminal("SIGN"), ChemicalFormula, ) ), - ']' + "]", ), - "Adducts" + "Adducts", ) -MassError = Group( - Sequence( - '/', - NonTerminal("NUMBER"), - Optional("ppm") - ), - "Mass Error" -) +MassError = Group(Sequence("/", NonTerminal("NUMBER"), Optional("ppm")), "Mass Error") -ConfidenceEstimate = Group( - Sequence( - "*", - NonTerminal("NUMBER") - ), - "Confidence Estimate" -) +ConfidenceEstimate = Group(Sequence("*", NonTerminal("NUMBER")), "Confidence Estimate") -Annotation = ( - Stack( - IsAuxiliary, - Optional( - AnalyteIdentifier - ), - IonType, - ZeroOrMore(NeutralLoss), - Optional(Isotope), - Optional(Adducts), - Optional(ChargeState), - Optional(MassError), - Optional(ConfidenceEstimate), - ) +Annotation = Stack( + IsAuxiliary, + Optional(AnalyteIdentifier), + IonType, + ZeroOrMore(NeutralLoss), + Optional(Isotope), + Optional(Adducts), + Optional(ChargeState), + Optional(MassError), + Optional(ConfidenceEstimate), ) @@ -255,12 +228,12 @@ def render_group_to_file(fh, name): print("Writing", name) tokens = globals()[name] pathname: pathlib.Path = (image_dir / name).with_suffix(".svg") - with pathname.open('wt') as img_fh: + with pathname.open("wt") as img_fh: img_fh.write(encode_svg(Diagram(tokens))) fh.write(f"""## {name}\n\n\n""") -with open("grammar.md", 'wt') as fh: +with open("grammar.md", "wt") as fh: fh.write("""# Peak Annotation Grammar\n\n""") render_group_to_file(fh, "DIGIT") render_group_to_file(fh, "LOWER_CASE_LETTER") diff --git a/specification/grammars/regex_ecma.js b/specification/grammars/regex_ecma.js index 1718f70..9427aa2 100644 --- a/specification/grammars/regex_ecma.js +++ b/specification/grammars/regex_ecma.js @@ -1,3 +1,3 @@ -const pattern = /^(?&)?(?:(?\d+)@)?(?:(?:(?[axbycz]\.?)(?\d+)(?:\{(?.+)\})?)|(?[m](?\d+):(?\d+)(?:\{(?.+)\})?)|(?p)|(:?I(?[ARNDCEQGHKMFPSTWYVIL])(?:\[(?(?:[^\]]+))\])?)|(?r(?:(?:\[(?[^\]]+)\])))|(?:f\{(?[A-Za-z0-9]+)\})|(?:_\{(?[^\{\}\s,\/]+)\})|(?:s\{(?[^\}]+)\})|(?:(?\?)(?\d+)?))(?(?:[+-]\d*(?:(?:[A-Z][A-Za-z0-9]*)|(?:\[(?:(?:[A-Za-z0-9:\.]+))\])))+)?(?:(?[+-]\d*)i)?(?:\[(?M(:?[+-]\d*[A-Z][A-Za-z0-9]*)+)\])?(?:\^(?[+-]?\d+))?(?:\/(?[+-]?\d+(?:\.\d+)?)(?ppm)?)?(?:\*(?\d*(?:\.\d+)?))?/ +const pattern = /^(?&)?(?:(?\d+)@)?(?:(?:(?[axbycz]\.?)(?\d+)(?:\{(?.+)\})?)|(?[m](?\d+):(?\d+)(?:\{(?.+)\})?)|(?p)|(:?I(?[ARNDCEQGHKMFPSTWYVIL])(?:\[(?(?:[^\]]+))\])?)|(?r(?:(?:\[(?[^\]]+)\])))|(?:f\{(?[A-Za-z0-9\[\]]+)\})|(?:_\{(?[^\{\}\s,/]+)\})|(?:s\{(?[^\}]+)\})|(?:(?\?)(?\d+)?))(?(?:[+-]\d*(?:(?:[A-Z][A-Za-z0-9]*)|(?:\[(?:(?:[A-Za-z0-9:\.]+)(?:\[(?:[A-Za-z0-9\.:\-\ ]+)\])?)\])))+)?(?:(?[+-]\d*)i)?(?:\[(?M(:?[+-]\d*[A-Z][A-Za-z0-9]*)+)\])?(?:\^(?[+-]?\d+))?(?:\/(?[+-]?\d+(?:\.\d+)?)(?ppm)?)?(?:\*(?\d*(?:\.\d+)?))?/ module.exports = pattern \ No newline at end of file diff --git a/specification/grammars/regex_sre.py b/specification/grammars/regex_sre.py index bbdfd74..65a3725 100644 --- a/specification/grammars/regex_sre.py +++ b/specification/grammars/regex_sre.py @@ -1,6 +1,7 @@ import re -annotation_pattern = re.compile(r""" +annotation_pattern = re.compile( + r""" ^(?P&)? (?:(?P\d+)@)? (?:(?:(?P[axbycz]\.?)(?P\d+)(?:\{(?P.+)\})?)| @@ -12,7 +13,7 @@ (?P[^\]]+) \]) ))| - (?:f\{(?P[A-Za-z0-9]+)\})| + (?:f\{(?P[A-Za-z0-9\[\]]+)\})| (?:_\{ (?P[^\{\}\s,/]+) \})| @@ -23,7 +24,7 @@ (?:(?:[A-Z][A-Za-z0-9]*)| (?:\[ (?: - (?:[A-Za-z0-9:\.]+) + (?:[A-Za-z0-9:\.]+)(?:\[(?:[A-Za-z0-9\.:\-\ ]+)\])? ) \]) ) @@ -33,4 +34,6 @@ (?:\^(?P[+-]?\d+))? (?:/(?P[+-]?\d+(?:\.\d+)?)(?Pppm)?)? (?:\*(?P\d*(?:\.\d+)?))? -""", re.X) +""", + re.X, +) diff --git a/specification/grammars/schema_images/Annotation.svg b/specification/grammars/schema_images/Annotation.svg index 339ad25..9bbd50b 100644 --- a/specification/grammars/schema_images/Annotation.svg +++ b/specification/grammars/schema_images/Annotation.svg @@ -1 +1 @@ - & Is Auxiliary ORDINAL @ Analyte Identifier a b c x y z ORDINAL { ANY ProForma 2.0 Sequence } Peptide Ion m ORDINAL : ORDINAL { ANY ProForma 2.0 Sequence } Internal Peptide Ion I AMINO_ACID [[[ CHARACTERCHARACTERCHARACTER SYMBOLSYMBOLSYMBOL CHARACTERCHARACTERCHARACTER SYMBOLSYMBOLSYMBOL CHARACTERCHARACTERCHARACTER SYMBOLSYMBOLSYMBOL CHARACTERCHARACTERCHARACTER SYMBOLSYMBOLSYMBOL CHARACTERCHARACTERCHARACTER SYMBOLSYMBOLSYMBOL CHARACTERCHARACTERCHARACTER SYMBOLSYMBOLSYMBOL CHARACTERCHARACTERCHARACTER SYMBOLSYMBOLSYMBOL CHARACTERCHARACTERCHARACTER SYMBOLSYMBOLSYMBOL CHARACTERCHARACTERCHARACTER SYMBOLSYMBOLSYMBOL ]]] [[[ CHARACTERCHARACTERCHARACTER SYMBOLSYMBOLSYMBOL CHARACTERCHARACTERCHARACTER SYMBOLSYMBOLSYMBOL CHARACTERCHARACTERCHARACTER SYMBOLSYMBOLSYMBOL CHARACTERCHARACTERCHARACTER SYMBOLSYMBOLSYMBOL CHARACTERCHARACTERCHARACTER SYMBOLSYMBOLSYMBOL CHARACTERCHARACTERCHARACTER SYMBOLSYMBOLSYMBOL CHARACTERCHARACTERCHARACTER SYMBOLSYMBOLSYMBOL CHARACTERCHARACTERCHARACTER SYMBOLSYMBOLSYMBOL CHARACTERCHARACTERCHARACTER SYMBOLSYMBOLSYMBOL ]]] [[[ CHARACTERCHARACTERCHARACTER SYMBOLSYMBOLSYMBOL CHARACTERCHARACTERCHARACTER SYMBOLSYMBOLSYMBOL CHARACTERCHARACTERCHARACTER SYMBOLSYMBOLSYMBOL CHARACTERCHARACTERCHARACTER SYMBOLSYMBOLSYMBOL CHARACTERCHARACTERCHARACTER SYMBOLSYMBOLSYMBOL CHARACTERCHARACTERCHARACTER SYMBOLSYMBOLSYMBOL CHARACTERCHARACTERCHARACTER SYMBOLSYMBOLSYMBOL CHARACTERCHARACTERCHARACTER SYMBOLSYMBOLSYMBOL CHARACTERCHARACTERCHARACTER SYMBOLSYMBOLSYMBOL ]]] Immonium Ion r [[[ CHARACTERCHARACTERCHARACTER SYMBOLSYMBOLSYMBOL CHARACTERCHARACTERCHARACTER SYMBOLSYMBOLSYMBOL CHARACTERCHARACTERCHARACTER SYMBOLSYMBOLSYMBOL CHARACTERCHARACTERCHARACTER SYMBOLSYMBOLSYMBOL CHARACTERCHARACTERCHARACTER SYMBOLSYMBOLSYMBOL CHARACTERCHARACTERCHARACTER SYMBOLSYMBOLSYMBOL CHARACTERCHARACTERCHARACTER SYMBOLSYMBOLSYMBOL CHARACTERCHARACTERCHARACTER SYMBOLSYMBOLSYMBOL CHARACTERCHARACTERCHARACTER SYMBOLSYMBOLSYMBOL ]]] [[[ CHARACTERCHARACTERCHARACTER SYMBOLSYMBOLSYMBOL CHARACTERCHARACTERCHARACTER SYMBOLSYMBOLSYMBOL CHARACTERCHARACTERCHARACTER SYMBOLSYMBOLSYMBOL CHARACTERCHARACTERCHARACTER SYMBOLSYMBOLSYMBOL CHARACTERCHARACTERCHARACTER SYMBOLSYMBOLSYMBOL CHARACTERCHARACTERCHARACTER SYMBOLSYMBOLSYMBOL CHARACTERCHARACTERCHARACTER SYMBOLSYMBOLSYMBOL CHARACTERCHARACTERCHARACTER SYMBOLSYMBOLSYMBOL CHARACTERCHARACTERCHARACTER SYMBOLSYMBOLSYMBOL ]]] [[[ CHARACTERCHARACTERCHARACTER SYMBOLSYMBOLSYMBOL CHARACTERCHARACTERCHARACTER SYMBOLSYMBOLSYMBOL CHARACTERCHARACTERCHARACTER SYMBOLSYMBOLSYMBOL CHARACTERCHARACTERCHARACTER SYMBOLSYMBOLSYMBOL CHARACTERCHARACTERCHARACTER SYMBOLSYMBOLSYMBOL CHARACTERCHARACTERCHARACTER SYMBOLSYMBOLSYMBOL CHARACTERCHARACTERCHARACTER SYMBOLSYMBOLSYMBOL CHARACTERCHARACTERCHARACTER SYMBOLSYMBOLSYMBOL CHARACTERCHARACTERCHARACTER SYMBOLSYMBOLSYMBOL ]]] Reporter Ion p Precursor Ion f { ATOM_COUNTATOM_COUNTATOM_COUNT ATOM_COUNTATOM_COUNTATOM_COUNT ATOM_COUNTATOM_COUNTATOM_COUNT } Formula Ion _ { CHARACTER } Named Compound s { /[^}]/ } SMILES Ion ? DIGIT Unknown Ion Ion Type SIGN ATOM_COUNTATOM_COUNTATOM_COUNT ATOM_COUNTATOM_COUNTATOM_COUNT ATOM_COUNTATOM_COUNTATOM_COUNT [[[ CHARACTERCHARACTERCHARACTER SYMBOLSYMBOLSYMBOL CHARACTERCHARACTERCHARACTER SYMBOLSYMBOLSYMBOL CHARACTERCHARACTERCHARACTER SYMBOLSYMBOLSYMBOL CHARACTERCHARACTERCHARACTER SYMBOLSYMBOLSYMBOL CHARACTERCHARACTERCHARACTER SYMBOLSYMBOLSYMBOL CHARACTERCHARACTERCHARACTER SYMBOLSYMBOLSYMBOL CHARACTERCHARACTERCHARACTER SYMBOLSYMBOLSYMBOL CHARACTERCHARACTERCHARACTER SYMBOLSYMBOLSYMBOL CHARACTERCHARACTERCHARACTER SYMBOLSYMBOLSYMBOL ]]] [[[ CHARACTERCHARACTERCHARACTER SYMBOLSYMBOLSYMBOL CHARACTERCHARACTERCHARACTER SYMBOLSYMBOLSYMBOL CHARACTERCHARACTERCHARACTER SYMBOLSYMBOLSYMBOL CHARACTERCHARACTERCHARACTER SYMBOLSYMBOLSYMBOL CHARACTERCHARACTERCHARACTER SYMBOLSYMBOLSYMBOL CHARACTERCHARACTERCHARACTER SYMBOLSYMBOLSYMBOL CHARACTERCHARACTERCHARACTER SYMBOLSYMBOLSYMBOL CHARACTERCHARACTERCHARACTER SYMBOLSYMBOLSYMBOL CHARACTERCHARACTERCHARACTER SYMBOLSYMBOLSYMBOL ]]] [[[ CHARACTERCHARACTERCHARACTER SYMBOLSYMBOLSYMBOL CHARACTERCHARACTERCHARACTER SYMBOLSYMBOLSYMBOL CHARACTERCHARACTERCHARACTER SYMBOLSYMBOLSYMBOL CHARACTERCHARACTERCHARACTER SYMBOLSYMBOLSYMBOL CHARACTERCHARACTERCHARACTER SYMBOLSYMBOLSYMBOL CHARACTERCHARACTERCHARACTER SYMBOLSYMBOLSYMBOL CHARACTERCHARACTERCHARACTER SYMBOLSYMBOLSYMBOL CHARACTERCHARACTERCHARACTER SYMBOLSYMBOLSYMBOL CHARACTERCHARACTERCHARACTER SYMBOLSYMBOLSYMBOL ]]] Neutral Loss(es) SIGN ORDINAL i Isotope [ M SIGN ATOM_COUNTATOM_COUNTATOM_COUNT ATOM_COUNTATOM_COUNTATOM_COUNT ATOM_COUNTATOM_COUNTATOM_COUNT ] Adducts ^ ORDINAL Charge State / NUMBER ppm Mass Error * NUMBER Confidence Estimate \ No newline at end of file + & Is Auxiliary ORDINAL @ Analyte Identifier a b c x y z ORDINAL { ANY ProForma 2.0 Sequence } Peptide Ion m ORDINAL : ORDINAL { ANY ProForma 2.0 Sequence } Internal Peptide Ion I AMINO_ACID [[[ CHARACTERCHARACTERCHARACTER SYMBOLSYMBOLSYMBOL CHARACTERCHARACTERCHARACTER SYMBOLSYMBOLSYMBOL CHARACTERCHARACTERCHARACTER SYMBOLSYMBOLSYMBOL CHARACTERCHARACTERCHARACTER SYMBOLSYMBOLSYMBOL CHARACTERCHARACTERCHARACTER SYMBOLSYMBOLSYMBOL CHARACTERCHARACTERCHARACTER SYMBOLSYMBOLSYMBOL CHARACTERCHARACTERCHARACTER SYMBOLSYMBOLSYMBOL CHARACTERCHARACTERCHARACTER SYMBOLSYMBOLSYMBOL CHARACTERCHARACTERCHARACTER SYMBOLSYMBOLSYMBOL [[[ CHARACTERCHARACTERCHARACTER SYMBOLSYMBOLSYMBOL CHARACTERCHARACTERCHARACTER SYMBOLSYMBOLSYMBOL CHARACTERCHARACTERCHARACTER SYMBOLSYMBOLSYMBOL CHARACTERCHARACTERCHARACTER SYMBOLSYMBOLSYMBOL CHARACTERCHARACTERCHARACTER SYMBOLSYMBOLSYMBOL CHARACTERCHARACTERCHARACTER SYMBOLSYMBOLSYMBOL CHARACTERCHARACTERCHARACTER SYMBOLSYMBOLSYMBOL CHARACTERCHARACTERCHARACTER SYMBOLSYMBOLSYMBOL CHARACTERCHARACTERCHARACTER SYMBOLSYMBOLSYMBOL ]]] [[[ CHARACTERCHARACTERCHARACTER SYMBOLSYMBOLSYMBOL CHARACTERCHARACTERCHARACTER SYMBOLSYMBOLSYMBOL CHARACTERCHARACTERCHARACTER SYMBOLSYMBOLSYMBOL CHARACTERCHARACTERCHARACTER SYMBOLSYMBOLSYMBOL CHARACTERCHARACTERCHARACTER SYMBOLSYMBOLSYMBOL CHARACTERCHARACTERCHARACTER SYMBOLSYMBOLSYMBOL CHARACTERCHARACTERCHARACTER SYMBOLSYMBOLSYMBOL CHARACTERCHARACTERCHARACTER SYMBOLSYMBOLSYMBOL CHARACTERCHARACTERCHARACTER SYMBOLSYMBOLSYMBOL ]]] [[[ CHARACTERCHARACTERCHARACTER SYMBOLSYMBOLSYMBOL CHARACTERCHARACTERCHARACTER SYMBOLSYMBOLSYMBOL CHARACTERCHARACTERCHARACTER SYMBOLSYMBOLSYMBOL CHARACTERCHARACTERCHARACTER SYMBOLSYMBOLSYMBOL CHARACTERCHARACTERCHARACTER SYMBOLSYMBOLSYMBOL CHARACTERCHARACTERCHARACTER SYMBOLSYMBOLSYMBOL CHARACTERCHARACTERCHARACTER SYMBOLSYMBOLSYMBOL CHARACTERCHARACTERCHARACTER SYMBOLSYMBOLSYMBOL CHARACTERCHARACTERCHARACTER SYMBOLSYMBOLSYMBOL ]]] [[[ CHARACTERCHARACTERCHARACTER SYMBOLSYMBOLSYMBOL CHARACTERCHARACTERCHARACTER SYMBOLSYMBOLSYMBOL CHARACTERCHARACTERCHARACTER SYMBOLSYMBOLSYMBOL CHARACTERCHARACTERCHARACTER SYMBOLSYMBOLSYMBOL CHARACTERCHARACTERCHARACTER SYMBOLSYMBOLSYMBOL CHARACTERCHARACTERCHARACTER SYMBOLSYMBOLSYMBOL CHARACTERCHARACTERCHARACTER SYMBOLSYMBOLSYMBOL CHARACTERCHARACTERCHARACTER SYMBOLSYMBOLSYMBOL CHARACTERCHARACTERCHARACTER SYMBOLSYMBOLSYMBOL ]]] [[[ CHARACTERCHARACTERCHARACTER SYMBOLSYMBOLSYMBOL CHARACTERCHARACTERCHARACTER SYMBOLSYMBOLSYMBOL CHARACTERCHARACTERCHARACTER SYMBOLSYMBOLSYMBOL CHARACTERCHARACTERCHARACTER SYMBOLSYMBOLSYMBOL CHARACTERCHARACTERCHARACTER SYMBOLSYMBOLSYMBOL CHARACTERCHARACTERCHARACTER SYMBOLSYMBOLSYMBOL CHARACTERCHARACTERCHARACTER SYMBOLSYMBOLSYMBOL CHARACTERCHARACTERCHARACTER SYMBOLSYMBOLSYMBOL CHARACTERCHARACTERCHARACTER SYMBOLSYMBOLSYMBOL ]]] [[[ CHARACTERCHARACTERCHARACTER SYMBOLSYMBOLSYMBOL CHARACTERCHARACTERCHARACTER SYMBOLSYMBOLSYMBOL CHARACTERCHARACTERCHARACTER SYMBOLSYMBOLSYMBOL CHARACTERCHARACTERCHARACTER SYMBOLSYMBOLSYMBOL CHARACTERCHARACTERCHARACTER SYMBOLSYMBOLSYMBOL CHARACTERCHARACTERCHARACTER SYMBOLSYMBOLSYMBOL CHARACTERCHARACTERCHARACTER SYMBOLSYMBOLSYMBOL CHARACTERCHARACTERCHARACTER SYMBOLSYMBOLSYMBOL CHARACTERCHARACTERCHARACTER SYMBOLSYMBOLSYMBOL ]]] [[[ CHARACTERCHARACTERCHARACTER SYMBOLSYMBOLSYMBOL CHARACTERCHARACTERCHARACTER SYMBOLSYMBOLSYMBOL CHARACTERCHARACTERCHARACTER SYMBOLSYMBOLSYMBOL CHARACTERCHARACTERCHARACTER SYMBOLSYMBOLSYMBOL CHARACTERCHARACTERCHARACTER SYMBOLSYMBOLSYMBOL CHARACTERCHARACTERCHARACTER SYMBOLSYMBOLSYMBOL CHARACTERCHARACTERCHARACTER SYMBOLSYMBOLSYMBOL CHARACTERCHARACTERCHARACTER SYMBOLSYMBOLSYMBOL CHARACTERCHARACTERCHARACTER SYMBOLSYMBOLSYMBOL ]]] [[[ CHARACTERCHARACTERCHARACTER SYMBOLSYMBOLSYMBOL CHARACTERCHARACTERCHARACTER SYMBOLSYMBOLSYMBOL CHARACTERCHARACTERCHARACTER SYMBOLSYMBOLSYMBOL CHARACTERCHARACTERCHARACTER SYMBOLSYMBOLSYMBOL CHARACTERCHARACTERCHARACTER SYMBOLSYMBOLSYMBOL CHARACTERCHARACTERCHARACTER SYMBOLSYMBOLSYMBOL CHARACTERCHARACTERCHARACTER SYMBOLSYMBOLSYMBOL CHARACTERCHARACTERCHARACTER SYMBOLSYMBOLSYMBOL CHARACTERCHARACTERCHARACTER SYMBOLSYMBOLSYMBOL ]]] [[[ CHARACTERCHARACTERCHARACTER SYMBOLSYMBOLSYMBOL CHARACTERCHARACTERCHARACTER SYMBOLSYMBOLSYMBOL CHARACTERCHARACTERCHARACTER SYMBOLSYMBOLSYMBOL CHARACTERCHARACTERCHARACTER SYMBOLSYMBOLSYMBOL 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SYMBOLSYMBOLSYMBOL CHARACTERCHARACTERCHARACTER SYMBOLSYMBOLSYMBOL CHARACTERCHARACTERCHARACTER SYMBOLSYMBOLSYMBOL ]]] [[[ CHARACTERCHARACTERCHARACTER SYMBOLSYMBOLSYMBOL CHARACTERCHARACTERCHARACTER SYMBOLSYMBOLSYMBOL CHARACTERCHARACTERCHARACTER SYMBOLSYMBOLSYMBOL CHARACTERCHARACTERCHARACTER SYMBOLSYMBOLSYMBOL CHARACTERCHARACTERCHARACTER SYMBOLSYMBOLSYMBOL CHARACTERCHARACTERCHARACTER SYMBOLSYMBOLSYMBOL CHARACTERCHARACTERCHARACTER SYMBOLSYMBOLSYMBOL CHARACTERCHARACTERCHARACTER SYMBOLSYMBOLSYMBOL CHARACTERCHARACTERCHARACTER SYMBOLSYMBOLSYMBOL ]]] [[[ CHARACTERCHARACTERCHARACTER SYMBOLSYMBOLSYMBOL CHARACTERCHARACTERCHARACTER SYMBOLSYMBOLSYMBOL CHARACTERCHARACTERCHARACTER SYMBOLSYMBOLSYMBOL CHARACTERCHARACTERCHARACTER SYMBOLSYMBOLSYMBOL CHARACTERCHARACTERCHARACTER SYMBOLSYMBOLSYMBOL CHARACTERCHARACTERCHARACTER SYMBOLSYMBOLSYMBOL CHARACTERCHARACTERCHARACTER SYMBOLSYMBOLSYMBOL CHARACTERCHARACTERCHARACTER SYMBOLSYMBOLSYMBOL CHARACTERCHARACTERCHARACTER SYMBOLSYMBOLSYMBOL ]]] [[[ CHARACTERCHARACTERCHARACTER SYMBOLSYMBOLSYMBOL CHARACTERCHARACTERCHARACTER SYMBOLSYMBOLSYMBOL CHARACTERCHARACTERCHARACTER SYMBOLSYMBOLSYMBOL CHARACTERCHARACTERCHARACTER SYMBOLSYMBOLSYMBOL CHARACTERCHARACTERCHARACTER SYMBOLSYMBOLSYMBOL CHARACTERCHARACTERCHARACTER SYMBOLSYMBOLSYMBOL CHARACTERCHARACTERCHARACTER SYMBOLSYMBOLSYMBOL CHARACTERCHARACTERCHARACTER SYMBOLSYMBOLSYMBOL CHARACTERCHARACTERCHARACTER SYMBOLSYMBOLSYMBOL ]]] [[[ CHARACTERCHARACTERCHARACTER SYMBOLSYMBOLSYMBOL CHARACTERCHARACTERCHARACTER SYMBOLSYMBOLSYMBOL CHARACTERCHARACTERCHARACTER SYMBOLSYMBOLSYMBOL CHARACTERCHARACTERCHARACTER SYMBOLSYMBOLSYMBOL CHARACTERCHARACTERCHARACTER SYMBOLSYMBOLSYMBOL CHARACTERCHARACTERCHARACTER SYMBOLSYMBOLSYMBOL CHARACTERCHARACTERCHARACTER SYMBOLSYMBOLSYMBOL CHARACTERCHARACTERCHARACTER SYMBOLSYMBOLSYMBOL CHARACTERCHARACTERCHARACTER SYMBOLSYMBOLSYMBOL ]]] [[[ CHARACTERCHARACTERCHARACTER SYMBOLSYMBOLSYMBOL CHARACTERCHARACTERCHARACTER SYMBOLSYMBOLSYMBOL CHARACTERCHARACTERCHARACTER 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CHARACTERCHARACTERCHARACTER SYMBOLSYMBOLSYMBOL CHARACTERCHARACTERCHARACTER SYMBOLSYMBOLSYMBOL CHARACTERCHARACTERCHARACTER SYMBOLSYMBOLSYMBOL ]]] [[[ CHARACTERCHARACTERCHARACTER SYMBOLSYMBOLSYMBOL CHARACTERCHARACTERCHARACTER SYMBOLSYMBOLSYMBOL CHARACTERCHARACTERCHARACTER SYMBOLSYMBOLSYMBOL CHARACTERCHARACTERCHARACTER SYMBOLSYMBOLSYMBOL CHARACTERCHARACTERCHARACTER SYMBOLSYMBOLSYMBOL CHARACTERCHARACTERCHARACTER SYMBOLSYMBOLSYMBOL CHARACTERCHARACTERCHARACTER SYMBOLSYMBOLSYMBOL CHARACTERCHARACTERCHARACTER SYMBOLSYMBOLSYMBOL CHARACTERCHARACTERCHARACTER SYMBOLSYMBOLSYMBOL ]]] [[[ CHARACTERCHARACTERCHARACTER SYMBOLSYMBOLSYMBOL CHARACTERCHARACTERCHARACTER SYMBOLSYMBOLSYMBOL CHARACTERCHARACTERCHARACTER SYMBOLSYMBOLSYMBOL CHARACTERCHARACTERCHARACTER SYMBOLSYMBOLSYMBOL CHARACTERCHARACTERCHARACTER SYMBOLSYMBOLSYMBOL CHARACTERCHARACTERCHARACTER SYMBOLSYMBOLSYMBOL CHARACTERCHARACTERCHARACTER SYMBOLSYMBOLSYMBOL CHARACTERCHARACTERCHARACTER SYMBOLSYMBOLSYMBOL CHARACTERCHARACTERCHARACTER SYMBOLSYMBOLSYMBOL ]]] ]]] Immonium Ion r [[[ CHARACTERCHARACTERCHARACTER SYMBOLSYMBOLSYMBOL CHARACTERCHARACTERCHARACTER SYMBOLSYMBOLSYMBOL CHARACTERCHARACTERCHARACTER SYMBOLSYMBOLSYMBOL CHARACTERCHARACTERCHARACTER SYMBOLSYMBOLSYMBOL CHARACTERCHARACTERCHARACTER SYMBOLSYMBOLSYMBOL CHARACTERCHARACTERCHARACTER SYMBOLSYMBOLSYMBOL CHARACTERCHARACTERCHARACTER SYMBOLSYMBOLSYMBOL CHARACTERCHARACTERCHARACTER SYMBOLSYMBOLSYMBOL CHARACTERCHARACTERCHARACTER SYMBOLSYMBOLSYMBOL [[[ CHARACTERCHARACTERCHARACTER SYMBOLSYMBOLSYMBOL CHARACTERCHARACTERCHARACTER SYMBOLSYMBOLSYMBOL CHARACTERCHARACTERCHARACTER SYMBOLSYMBOLSYMBOL CHARACTERCHARACTERCHARACTER SYMBOLSYMBOLSYMBOL CHARACTERCHARACTERCHARACTER SYMBOLSYMBOLSYMBOL CHARACTERCHARACTERCHARACTER SYMBOLSYMBOLSYMBOL CHARACTERCHARACTERCHARACTER SYMBOLSYMBOLSYMBOL CHARACTERCHARACTERCHARACTER SYMBOLSYMBOLSYMBOL CHARACTERCHARACTERCHARACTER SYMBOLSYMBOLSYMBOL ]]] [[[ CHARACTERCHARACTERCHARACTER SYMBOLSYMBOLSYMBOL CHARACTERCHARACTERCHARACTER SYMBOLSYMBOLSYMBOL CHARACTERCHARACTERCHARACTER SYMBOLSYMBOLSYMBOL CHARACTERCHARACTERCHARACTER SYMBOLSYMBOLSYMBOL CHARACTERCHARACTERCHARACTER SYMBOLSYMBOLSYMBOL CHARACTERCHARACTERCHARACTER SYMBOLSYMBOLSYMBOL CHARACTERCHARACTERCHARACTER SYMBOLSYMBOLSYMBOL CHARACTERCHARACTERCHARACTER SYMBOLSYMBOLSYMBOL CHARACTERCHARACTERCHARACTER SYMBOLSYMBOLSYMBOL ]]] [[[ CHARACTERCHARACTERCHARACTER SYMBOLSYMBOLSYMBOL CHARACTERCHARACTERCHARACTER SYMBOLSYMBOLSYMBOL CHARACTERCHARACTERCHARACTER SYMBOLSYMBOLSYMBOL CHARACTERCHARACTERCHARACTER SYMBOLSYMBOLSYMBOL CHARACTERCHARACTERCHARACTER SYMBOLSYMBOLSYMBOL CHARACTERCHARACTERCHARACTER SYMBOLSYMBOLSYMBOL CHARACTERCHARACTERCHARACTER SYMBOLSYMBOLSYMBOL CHARACTERCHARACTERCHARACTER SYMBOLSYMBOLSYMBOL CHARACTERCHARACTERCHARACTER SYMBOLSYMBOLSYMBOL ]]] [[[ CHARACTERCHARACTERCHARACTER SYMBOLSYMBOLSYMBOL CHARACTERCHARACTERCHARACTER SYMBOLSYMBOLSYMBOL CHARACTERCHARACTERCHARACTER SYMBOLSYMBOLSYMBOL CHARACTERCHARACTERCHARACTER SYMBOLSYMBOLSYMBOL CHARACTERCHARACTERCHARACTER 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CHARACTERCHARACTERCHARACTER SYMBOLSYMBOLSYMBOL CHARACTERCHARACTERCHARACTER SYMBOLSYMBOLSYMBOL ]]] [[[ CHARACTERCHARACTERCHARACTER SYMBOLSYMBOLSYMBOL CHARACTERCHARACTERCHARACTER SYMBOLSYMBOLSYMBOL CHARACTERCHARACTERCHARACTER SYMBOLSYMBOLSYMBOL CHARACTERCHARACTERCHARACTER SYMBOLSYMBOLSYMBOL CHARACTERCHARACTERCHARACTER SYMBOLSYMBOLSYMBOL CHARACTERCHARACTERCHARACTER SYMBOLSYMBOLSYMBOL CHARACTERCHARACTERCHARACTER SYMBOLSYMBOLSYMBOL CHARACTERCHARACTERCHARACTER SYMBOLSYMBOLSYMBOL CHARACTERCHARACTERCHARACTER SYMBOLSYMBOLSYMBOL ]]] [[[ CHARACTERCHARACTERCHARACTER SYMBOLSYMBOLSYMBOL CHARACTERCHARACTERCHARACTER SYMBOLSYMBOLSYMBOL CHARACTERCHARACTERCHARACTER SYMBOLSYMBOLSYMBOL CHARACTERCHARACTERCHARACTER SYMBOLSYMBOLSYMBOL CHARACTERCHARACTERCHARACTER SYMBOLSYMBOLSYMBOL CHARACTERCHARACTERCHARACTER SYMBOLSYMBOLSYMBOL CHARACTERCHARACTERCHARACTER SYMBOLSYMBOLSYMBOL CHARACTERCHARACTERCHARACTER SYMBOLSYMBOLSYMBOL CHARACTERCHARACTERCHARACTER SYMBOLSYMBOLSYMBOL ]]] [[[ CHARACTERCHARACTERCHARACTER 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CHARACTERCHARACTERCHARACTER SYMBOLSYMBOLSYMBOL CHARACTERCHARACTERCHARACTER SYMBOLSYMBOLSYMBOL CHARACTERCHARACTERCHARACTER SYMBOLSYMBOLSYMBOL CHARACTERCHARACTERCHARACTER SYMBOLSYMBOLSYMBOL CHARACTERCHARACTERCHARACTER SYMBOLSYMBOLSYMBOL CHARACTERCHARACTERCHARACTER SYMBOLSYMBOLSYMBOL ]]] [[[ CHARACTERCHARACTERCHARACTER SYMBOLSYMBOLSYMBOL CHARACTERCHARACTERCHARACTER SYMBOLSYMBOLSYMBOL CHARACTERCHARACTERCHARACTER SYMBOLSYMBOLSYMBOL CHARACTERCHARACTERCHARACTER SYMBOLSYMBOLSYMBOL CHARACTERCHARACTERCHARACTER SYMBOLSYMBOLSYMBOL CHARACTERCHARACTERCHARACTER SYMBOLSYMBOLSYMBOL CHARACTERCHARACTERCHARACTER SYMBOLSYMBOLSYMBOL CHARACTERCHARACTERCHARACTER SYMBOLSYMBOLSYMBOL CHARACTERCHARACTERCHARACTER SYMBOLSYMBOLSYMBOL ]]] [[[ CHARACTERCHARACTERCHARACTER SYMBOLSYMBOLSYMBOL CHARACTERCHARACTERCHARACTER SYMBOLSYMBOLSYMBOL CHARACTERCHARACTERCHARACTER SYMBOLSYMBOLSYMBOL CHARACTERCHARACTERCHARACTER SYMBOLSYMBOLSYMBOL CHARACTERCHARACTERCHARACTER SYMBOLSYMBOLSYMBOL CHARACTERCHARACTERCHARACTER SYMBOLSYMBOLSYMBOL CHARACTERCHARACTERCHARACTER SYMBOLSYMBOLSYMBOL CHARACTERCHARACTERCHARACTER SYMBOLSYMBOLSYMBOL CHARACTERCHARACTERCHARACTER SYMBOLSYMBOLSYMBOL ]]] ]]] Reporter Ion p Precursor Ion f { ATOM_COUNTATOM_COUNTATOM_COUNT ATOM_COUNTATOM_COUNTATOM_COUNT ATOM_COUNTATOM_COUNTATOM_COUNT } Formula Ion _ { CHARACTER } Named Compound s { /[^}]/ } SMILES Ion ? DIGIT Unknown Ion Ion Type SIGN ATOM_COUNTATOM_COUNTATOM_COUNT ATOM_COUNTATOM_COUNTATOM_COUNT ATOM_COUNTATOM_COUNTATOM_COUNT [[[ CHARACTERCHARACTERCHARACTER SYMBOLSYMBOLSYMBOL CHARACTERCHARACTERCHARACTER SYMBOLSYMBOLSYMBOL CHARACTERCHARACTERCHARACTER SYMBOLSYMBOLSYMBOL CHARACTERCHARACTERCHARACTER SYMBOLSYMBOLSYMBOL CHARACTERCHARACTERCHARACTER SYMBOLSYMBOLSYMBOL CHARACTERCHARACTERCHARACTER SYMBOLSYMBOLSYMBOL CHARACTERCHARACTERCHARACTER SYMBOLSYMBOLSYMBOL CHARACTERCHARACTERCHARACTER SYMBOLSYMBOLSYMBOL CHARACTERCHARACTERCHARACTER SYMBOLSYMBOLSYMBOL [[[ CHARACTERCHARACTERCHARACTER SYMBOLSYMBOLSYMBOL CHARACTERCHARACTERCHARACTER SYMBOLSYMBOLSYMBOL CHARACTERCHARACTERCHARACTER SYMBOLSYMBOLSYMBOL CHARACTERCHARACTERCHARACTER SYMBOLSYMBOLSYMBOL CHARACTERCHARACTERCHARACTER SYMBOLSYMBOLSYMBOL CHARACTERCHARACTERCHARACTER SYMBOLSYMBOLSYMBOL CHARACTERCHARACTERCHARACTER SYMBOLSYMBOLSYMBOL CHARACTERCHARACTERCHARACTER SYMBOLSYMBOLSYMBOL CHARACTERCHARACTERCHARACTER SYMBOLSYMBOLSYMBOL ]]] [[[ 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SYMBOLSYMBOLSYMBOL CHARACTERCHARACTERCHARACTER SYMBOLSYMBOLSYMBOL CHARACTERCHARACTERCHARACTER SYMBOLSYMBOLSYMBOL CHARACTERCHARACTERCHARACTER SYMBOLSYMBOLSYMBOL CHARACTERCHARACTERCHARACTER SYMBOLSYMBOLSYMBOL CHARACTERCHARACTERCHARACTER SYMBOLSYMBOLSYMBOL CHARACTERCHARACTERCHARACTER SYMBOLSYMBOLSYMBOL ]]] [[[ CHARACTERCHARACTERCHARACTER SYMBOLSYMBOLSYMBOL CHARACTERCHARACTERCHARACTER SYMBOLSYMBOLSYMBOL CHARACTERCHARACTERCHARACTER SYMBOLSYMBOLSYMBOL CHARACTERCHARACTERCHARACTER SYMBOLSYMBOLSYMBOL CHARACTERCHARACTERCHARACTER SYMBOLSYMBOLSYMBOL CHARACTERCHARACTERCHARACTER SYMBOLSYMBOLSYMBOL CHARACTERCHARACTERCHARACTER SYMBOLSYMBOLSYMBOL CHARACTERCHARACTERCHARACTER SYMBOLSYMBOLSYMBOL CHARACTERCHARACTERCHARACTER SYMBOLSYMBOLSYMBOL ]]] [[[ CHARACTERCHARACTERCHARACTER SYMBOLSYMBOLSYMBOL CHARACTERCHARACTERCHARACTER SYMBOLSYMBOLSYMBOL CHARACTERCHARACTERCHARACTER SYMBOLSYMBOLSYMBOL CHARACTERCHARACTERCHARACTER SYMBOLSYMBOLSYMBOL CHARACTERCHARACTERCHARACTER SYMBOLSYMBOLSYMBOL CHARACTERCHARACTERCHARACTER SYMBOLSYMBOLSYMBOL CHARACTERCHARACTERCHARACTER SYMBOLSYMBOLSYMBOL CHARACTERCHARACTERCHARACTER SYMBOLSYMBOLSYMBOL CHARACTERCHARACTERCHARACTER SYMBOLSYMBOLSYMBOL ]]] [[[ CHARACTERCHARACTERCHARACTER SYMBOLSYMBOLSYMBOL CHARACTERCHARACTERCHARACTER SYMBOLSYMBOLSYMBOL CHARACTERCHARACTERCHARACTER SYMBOLSYMBOLSYMBOL CHARACTERCHARACTERCHARACTER SYMBOLSYMBOLSYMBOL CHARACTERCHARACTERCHARACTER SYMBOLSYMBOLSYMBOL CHARACTERCHARACTERCHARACTER SYMBOLSYMBOLSYMBOL CHARACTERCHARACTERCHARACTER SYMBOLSYMBOLSYMBOL CHARACTERCHARACTERCHARACTER SYMBOLSYMBOLSYMBOL CHARACTERCHARACTERCHARACTER SYMBOLSYMBOLSYMBOL ]]] [[[ CHARACTERCHARACTERCHARACTER SYMBOLSYMBOLSYMBOL CHARACTERCHARACTERCHARACTER SYMBOLSYMBOLSYMBOL CHARACTERCHARACTERCHARACTER SYMBOLSYMBOLSYMBOL CHARACTERCHARACTERCHARACTER SYMBOLSYMBOLSYMBOL CHARACTERCHARACTERCHARACTER SYMBOLSYMBOLSYMBOL CHARACTERCHARACTERCHARACTER SYMBOLSYMBOLSYMBOL CHARACTERCHARACTERCHARACTER SYMBOLSYMBOLSYMBOL CHARACTERCHARACTERCHARACTER SYMBOLSYMBOLSYMBOL CHARACTERCHARACTERCHARACTER SYMBOLSYMBOLSYMBOL ]]] [[[ CHARACTERCHARACTERCHARACTER SYMBOLSYMBOLSYMBOL CHARACTERCHARACTERCHARACTER SYMBOLSYMBOLSYMBOL CHARACTERCHARACTERCHARACTER SYMBOLSYMBOLSYMBOL CHARACTERCHARACTERCHARACTER SYMBOLSYMBOLSYMBOL CHARACTERCHARACTERCHARACTER SYMBOLSYMBOLSYMBOL CHARACTERCHARACTERCHARACTER SYMBOLSYMBOLSYMBOL CHARACTERCHARACTERCHARACTER SYMBOLSYMBOLSYMBOL CHARACTERCHARACTERCHARACTER SYMBOLSYMBOLSYMBOL CHARACTERCHARACTERCHARACTER SYMBOLSYMBOLSYMBOL ]]] ]]] [[[ CHARACTERCHARACTERCHARACTER SYMBOLSYMBOLSYMBOL CHARACTERCHARACTERCHARACTER SYMBOLSYMBOLSYMBOL CHARACTERCHARACTERCHARACTER SYMBOLSYMBOLSYMBOL CHARACTERCHARACTERCHARACTER SYMBOLSYMBOLSYMBOL CHARACTERCHARACTERCHARACTER SYMBOLSYMBOLSYMBOL CHARACTERCHARACTERCHARACTER SYMBOLSYMBOLSYMBOL CHARACTERCHARACTERCHARACTER SYMBOLSYMBOLSYMBOL CHARACTERCHARACTERCHARACTER SYMBOLSYMBOLSYMBOL CHARACTERCHARACTERCHARACTER SYMBOLSYMBOLSYMBOL [[[ CHARACTERCHARACTERCHARACTER SYMBOLSYMBOLSYMBOL 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SYMBOLSYMBOLSYMBOL ]]] [[[ CHARACTERCHARACTERCHARACTER SYMBOLSYMBOLSYMBOL CHARACTERCHARACTERCHARACTER SYMBOLSYMBOLSYMBOL CHARACTERCHARACTERCHARACTER SYMBOLSYMBOLSYMBOL CHARACTERCHARACTERCHARACTER SYMBOLSYMBOLSYMBOL CHARACTERCHARACTERCHARACTER SYMBOLSYMBOLSYMBOL CHARACTERCHARACTERCHARACTER SYMBOLSYMBOLSYMBOL CHARACTERCHARACTERCHARACTER SYMBOLSYMBOLSYMBOL CHARACTERCHARACTERCHARACTER SYMBOLSYMBOLSYMBOL CHARACTERCHARACTERCHARACTER SYMBOLSYMBOLSYMBOL ]]] [[[ CHARACTERCHARACTERCHARACTER SYMBOLSYMBOLSYMBOL CHARACTERCHARACTERCHARACTER SYMBOLSYMBOLSYMBOL CHARACTERCHARACTERCHARACTER SYMBOLSYMBOLSYMBOL CHARACTERCHARACTERCHARACTER SYMBOLSYMBOLSYMBOL CHARACTERCHARACTERCHARACTER SYMBOLSYMBOLSYMBOL CHARACTERCHARACTERCHARACTER SYMBOLSYMBOLSYMBOL CHARACTERCHARACTERCHARACTER SYMBOLSYMBOLSYMBOL CHARACTERCHARACTERCHARACTER SYMBOLSYMBOLSYMBOL CHARACTERCHARACTERCHARACTER SYMBOLSYMBOLSYMBOL ]]] ]]] [[[ CHARACTERCHARACTERCHARACTER SYMBOLSYMBOLSYMBOL CHARACTERCHARACTERCHARACTER SYMBOLSYMBOLSYMBOL CHARACTERCHARACTERCHARACTER SYMBOLSYMBOLSYMBOL CHARACTERCHARACTERCHARACTER SYMBOLSYMBOLSYMBOL CHARACTERCHARACTERCHARACTER SYMBOLSYMBOLSYMBOL CHARACTERCHARACTERCHARACTER SYMBOLSYMBOLSYMBOL CHARACTERCHARACTERCHARACTER SYMBOLSYMBOLSYMBOL CHARACTERCHARACTERCHARACTER SYMBOLSYMBOLSYMBOL CHARACTERCHARACTERCHARACTER SYMBOLSYMBOLSYMBOL [[[ CHARACTERCHARACTERCHARACTER SYMBOLSYMBOLSYMBOL CHARACTERCHARACTERCHARACTER SYMBOLSYMBOLSYMBOL CHARACTERCHARACTERCHARACTER SYMBOLSYMBOLSYMBOL CHARACTERCHARACTERCHARACTER SYMBOLSYMBOLSYMBOL CHARACTERCHARACTERCHARACTER SYMBOLSYMBOLSYMBOL CHARACTERCHARACTERCHARACTER SYMBOLSYMBOLSYMBOL CHARACTERCHARACTERCHARACTER SYMBOLSYMBOLSYMBOL CHARACTERCHARACTERCHARACTER SYMBOLSYMBOLSYMBOL CHARACTERCHARACTERCHARACTER SYMBOLSYMBOLSYMBOL ]]] [[[ CHARACTERCHARACTERCHARACTER SYMBOLSYMBOLSYMBOL CHARACTERCHARACTERCHARACTER SYMBOLSYMBOLSYMBOL CHARACTERCHARACTERCHARACTER SYMBOLSYMBOLSYMBOL CHARACTERCHARACTERCHARACTER SYMBOLSYMBOLSYMBOL CHARACTERCHARACTERCHARACTER SYMBOLSYMBOLSYMBOL CHARACTERCHARACTERCHARACTER SYMBOLSYMBOLSYMBOL CHARACTERCHARACTERCHARACTER SYMBOLSYMBOLSYMBOL CHARACTERCHARACTERCHARACTER SYMBOLSYMBOLSYMBOL CHARACTERCHARACTERCHARACTER SYMBOLSYMBOLSYMBOL ]]] [[[ CHARACTERCHARACTERCHARACTER SYMBOLSYMBOLSYMBOL CHARACTERCHARACTERCHARACTER SYMBOLSYMBOLSYMBOL CHARACTERCHARACTERCHARACTER SYMBOLSYMBOLSYMBOL CHARACTERCHARACTERCHARACTER SYMBOLSYMBOLSYMBOL CHARACTERCHARACTERCHARACTER SYMBOLSYMBOLSYMBOL CHARACTERCHARACTERCHARACTER SYMBOLSYMBOLSYMBOL CHARACTERCHARACTERCHARACTER SYMBOLSYMBOLSYMBOL CHARACTERCHARACTERCHARACTER SYMBOLSYMBOLSYMBOL CHARACTERCHARACTERCHARACTER SYMBOLSYMBOLSYMBOL ]]] [[[ CHARACTERCHARACTERCHARACTER SYMBOLSYMBOLSYMBOL CHARACTERCHARACTERCHARACTER SYMBOLSYMBOLSYMBOL CHARACTERCHARACTERCHARACTER SYMBOLSYMBOLSYMBOL CHARACTERCHARACTERCHARACTER SYMBOLSYMBOLSYMBOL CHARACTERCHARACTERCHARACTER SYMBOLSYMBOLSYMBOL CHARACTERCHARACTERCHARACTER SYMBOLSYMBOLSYMBOL CHARACTERCHARACTERCHARACTER SYMBOLSYMBOLSYMBOL CHARACTERCHARACTERCHARACTER SYMBOLSYMBOLSYMBOL CHARACTERCHARACTERCHARACTER SYMBOLSYMBOLSYMBOL ]]] [[[ CHARACTERCHARACTERCHARACTER SYMBOLSYMBOLSYMBOL CHARACTERCHARACTERCHARACTER SYMBOLSYMBOLSYMBOL CHARACTERCHARACTERCHARACTER SYMBOLSYMBOLSYMBOL CHARACTERCHARACTERCHARACTER SYMBOLSYMBOLSYMBOL CHARACTERCHARACTERCHARACTER SYMBOLSYMBOLSYMBOL CHARACTERCHARACTERCHARACTER SYMBOLSYMBOLSYMBOL CHARACTERCHARACTERCHARACTER SYMBOLSYMBOLSYMBOL CHARACTERCHARACTERCHARACTER SYMBOLSYMBOLSYMBOL CHARACTERCHARACTERCHARACTER SYMBOLSYMBOLSYMBOL ]]] [[[ CHARACTERCHARACTERCHARACTER SYMBOLSYMBOLSYMBOL CHARACTERCHARACTERCHARACTER SYMBOLSYMBOLSYMBOL CHARACTERCHARACTERCHARACTER SYMBOLSYMBOLSYMBOL CHARACTERCHARACTERCHARACTER SYMBOLSYMBOLSYMBOL CHARACTERCHARACTERCHARACTER SYMBOLSYMBOLSYMBOL CHARACTERCHARACTERCHARACTER SYMBOLSYMBOLSYMBOL CHARACTERCHARACTERCHARACTER SYMBOLSYMBOLSYMBOL CHARACTERCHARACTERCHARACTER SYMBOLSYMBOLSYMBOL CHARACTERCHARACTERCHARACTER SYMBOLSYMBOLSYMBOL ]]] [[[ CHARACTERCHARACTERCHARACTER SYMBOLSYMBOLSYMBOL CHARACTERCHARACTERCHARACTER SYMBOLSYMBOLSYMBOL CHARACTERCHARACTERCHARACTER SYMBOLSYMBOLSYMBOL CHARACTERCHARACTERCHARACTER SYMBOLSYMBOLSYMBOL CHARACTERCHARACTERCHARACTER SYMBOLSYMBOLSYMBOL CHARACTERCHARACTERCHARACTER SYMBOLSYMBOLSYMBOL CHARACTERCHARACTERCHARACTER SYMBOLSYMBOLSYMBOL CHARACTERCHARACTERCHARACTER SYMBOLSYMBOLSYMBOL CHARACTERCHARACTERCHARACTER SYMBOLSYMBOLSYMBOL ]]] [[[ CHARACTERCHARACTERCHARACTER SYMBOLSYMBOLSYMBOL CHARACTERCHARACTERCHARACTER SYMBOLSYMBOLSYMBOL CHARACTERCHARACTERCHARACTER SYMBOLSYMBOLSYMBOL CHARACTERCHARACTERCHARACTER SYMBOLSYMBOLSYMBOL CHARACTERCHARACTERCHARACTER SYMBOLSYMBOLSYMBOL CHARACTERCHARACTERCHARACTER SYMBOLSYMBOLSYMBOL CHARACTERCHARACTERCHARACTER SYMBOLSYMBOLSYMBOL CHARACTERCHARACTERCHARACTER SYMBOLSYMBOLSYMBOL CHARACTERCHARACTERCHARACTER SYMBOLSYMBOLSYMBOL ]]] [[[ CHARACTERCHARACTERCHARACTER SYMBOLSYMBOLSYMBOL CHARACTERCHARACTERCHARACTER SYMBOLSYMBOLSYMBOL CHARACTERCHARACTERCHARACTER SYMBOLSYMBOLSYMBOL CHARACTERCHARACTERCHARACTER SYMBOLSYMBOLSYMBOL CHARACTERCHARACTERCHARACTER SYMBOLSYMBOLSYMBOL CHARACTERCHARACTERCHARACTER SYMBOLSYMBOLSYMBOL CHARACTERCHARACTERCHARACTER SYMBOLSYMBOLSYMBOL CHARACTERCHARACTERCHARACTER SYMBOLSYMBOLSYMBOL CHARACTERCHARACTERCHARACTER SYMBOLSYMBOLSYMBOL ]]] ]]] Neutral Loss(es) SIGN ORDINAL i Isotope [ M SIGN ATOM_COUNTATOM_COUNTATOM_COUNT ATOM_COUNTATOM_COUNTATOM_COUNT ATOM_COUNTATOM_COUNTATOM_COUNT ] Adducts ^ ORDINAL Charge State / NUMBER ppm Mass Error * NUMBER Confidence Estimate \ No newline at end of file