MassBank Record: JP001335

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ORTH0-AMINOBENZOIC ACID; EI-B; MS
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n
metabolomics-usi visualisation

ACCESSION: JP001335
RECORD_TITLE: ORTH0-AMINOBENZOIC ACID; EI-B; MS
DATE: 2016.01.19 (2008.10.21, 2011.05.06)
AUTHORS: TAJIMA S, GUNMA COLLEGE OF TECHNOLOGY
LICENSE: CC BY-NC-SA

CH$NAME: ORTH0-AMINOBENZOIC ACID CH$NAME: ANTHRANILIC ACID 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: INCHIKEY RWZYAGGXGHYGMB-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID8020094
AC$INSTRUMENT: HITACHI RMU-7M AC$INSTRUMENT_TYPE: EI-B AC$MASS_SPECTROMETRY: MS_TYPE MS AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION_ENERGY 70 eV
MS$FOCUSED_ION: ION_TYPE [M]+*
PK$SPLASH: splash10-00kf-9400000000-b65ee27505e8c4bcca28 PK$NUM_PEAK: 37 PK$PEAK: m/z int. rel.int. 29 2.41 24 38 3.46 35 39 10.2 102 40 2.41 24 41 7.99 80 42 2.21 22 43 5.44 54 44 10.89 109 50 2.76 28 51 2.89 29 52 4.2 42 55 5.86 59 56 3.79 38 57 5.03 50 62 2.76 28 63 7.72 77 64 10.89 109 65 21.57 216 66 25.5 255 67 3.51 35 69 4.96 50 70 4.14 41 71 2.69 27 77 3.31 33 83 4.07 41 90 2.41 24 91 12.34 123 92 72.64 726 93 77.74 777 94 5.93 59 97 4.07 41 105 2.62 26 115 3.38 34 119 99.99 999 120 13.99 140 137 49.9 499 138 4.34 43 //