MassBank Record: KNA00058



 Anthranilic acid; LC-ESI-ITFT; MS2; m/z:120.04; POS 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: KNA00058
RECORD_TITLE: Anthranilic acid; LC-ESI-ITFT; MS2; m/z:120.04; POS
DATE: 2016.01.19 (2009.11.17, 2011.08.03)
AUTHORS: Takahashi HGraduate School of Information Science, NAIST, Kanaya SGraduate School of Information Science, NAIST, Ogasawara NGraduate School of Information Science, NAIST, Graduate School of Information Science, NAIST
LICENSE: CC BY-SA

CH$NAME: Anthranilate CH$NAME: Anthranilic acid CH$NAME: o-Aminobenzoic acid CH$NAME: Vitamin L1 CH$NAME: 2-Aminobenzoate CH$COMPOUND_CLASS: Natural Product CH$FORMULA: C7H7NO2 CH$EXACT_MASS: 137.04768 CH$SMILES: OC(=O)c(c1)c(N)ccc1 CH$IUPAC: InChI=1S/C7H7NO2/c8-6-4-2-1-3-5(6)7(9)10/h1-4H,8H2,(H,9,10) CH$LINK: CAS 118-92-3 CH$LINK: CHEBI 30754 CH$LINK: KEGG C00108 CH$LINK: KNAPSACK C00007382 CH$LINK: NIKKAJI J2.912B CH$LINK: PUBCHEM 3408 CH$LINK: INCHIKEY RWZYAGGXGHYGMB-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID8020094
AC$INSTRUMENT: LTQ Orbitrap XL, Thermo Scientfic AC$INSTRUMENT_TYPE: LC-ESI-ITFT AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 35eV AC$MASS_SPECTROMETRY: IONIZATION ESI AC$CHROMATOGRAPHY: COLUMN_NAME TOSOH TSKgel ODS-100V 5um Part no. 21456 AC$CHROMATOGRAPHY: FLOW_GRADIENT 0min:3%, 45min:97%, 50min:97%, 50.1:3%, 57min:3% (acetonitrile) AC$CHROMATOGRAPHY: FLOW_RATE 0.5 ml/min AC$CHROMATOGRAPHY: RETENTION_TIME 22.649913 min AC$CHROMATOGRAPHY: SOLVENT 0.1%formate-water / 0.1%formate-acetonitrile
MS$FOCUSED_ION: BASE_PEAK 91.968094 MS$FOCUSED_ION: PRECURSOR_M/Z 120.04
PK$SPLASH: splash10-0006-9000000000-899b596a227cd9a1769d PK$NUM_PEAK: 6 PK$PEAK: m/z int. rel.int. 65.040108 113.672195 16 74.090660 13.568557 2 88.897087 24.621696 4 91.968094 6918.517578 999 102.238251 50.995293 7 120.063248 174.167877 25 //

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