MassBank Record: KNA00438 |
Anthranilic acid; LC-ESI-ITFT; MS2; m/z:139.06; POS
Mass Spectrum
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Chemical Structure |
ACCESSION: KNA00438 RECORD_TITLE: Anthranilic acid; LC-ESI-ITFT; MS2; m/z:139.06; POS DATE: 2016.01.19 (2009.11.18, 2011.08.03) AUTHORS: Takahashi H, Kanaya S, Ogasawara N, 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 22.701185 min AC$CHROMATOGRAPHY: SOLVENT 0.1%formate-water / 0.1%formate-acetonitrile
MS$FOCUSED_ION: BASE_PEAK 120.992050 MS$FOCUSED_ION: PRECURSOR_M/Z 139.06
PK$SPLASH: splash10-00di-0900000000-86d698a8c81a3e765840 PK$NUM_PEAK: 1 PK$PEAK: m/z int. rel.int. 120.992050 6296.386719 999 //
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