MassBank Record: KO002044



 Anthranilic acid; LC-ESI-QQ; MS2; CE:20 V; [M+H]+ 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: KO002044
RECORD_TITLE: Anthranilic acid; LC-ESI-QQ; MS2; CE:20 V; [M+H]+
DATE: 2016.01.19 (2007.07.07, 2011.05.10)
AUTHORS: Kakazu YInstitute for Advanced Biosciences, Keio Univ., Horai HInstitute for Advanced Biosciences, Keio Univ., Institute for Advanced Biosciences, Keio Univ.
LICENSE: CC BY-NC-SA
COMMENT: KEIO_ID A010

CH$NAME: Anthranilate CH$NAME: o-Aminobenzoic acid CH$NAME: Anthranilic acid CH$NAME: 2-Aminobenzoate CH$NAME: Vitamin L1 CH$COMPOUND_CLASS: N/A 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$LINK: CHEMPDB BE2 CH$LINK: KEGG C00108 CH$LINK: NIKKAJI J2.912B CH$LINK: PUBCHEM SID:3408 CH$LINK: INCHIKEY RWZYAGGXGHYGMB-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID8020094
AC$INSTRUMENT: API3000, Applied Biosystems AC$INSTRUMENT_TYPE: LC-ESI-QQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V
MS$FOCUSED_ION: PRECURSOR_M/Z 138 MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
PK$SPLASH: splash10-00di-4900000000-f8f84a5536375300afbd PK$NUM_PEAK: 20 PK$PEAK: m/z int. rel.int. 40.100 29703.0 2 41.200 19802.0 1 42.800 39604.0 3 45.000 59406.0 4 59.200 608911.5 43 61.400 34653.5 2 65.000 34653.5 2 69.100 2767329.5 195 70.000 2623765.0 185 73.600 34653.5 2 74.200 19802.0 1 84.900 14851.5 1 89.200 297030.0 21 91.900 1435645.0 101 93.300 19802.0 1 103.000 183168.5 13 110.200 14851.5 1 120.200 14158430.0 999 121.000 450495.5 32 138.200 232673.5 16 //

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