MassBank Record: JP000044



 META TOLUIC ACID; EI-B; MS 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: JP000044
RECORD_TITLE: META TOLUIC ACID; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: TAJIMA S, GUNMA COLLEGE OF TECHNOLOGY
LICENSE: CC BY-NC-SA

CH$NAME: META TOLUIC ACID CH$COMPOUND_CLASS: N/A CH$FORMULA: C8H8O2 CH$EXACT_MASS: 136.05243 CH$SMILES: Cc(c1)cc(cc1)C(O)=O CH$IUPAC: InChI=1S/C8H8O2/c1-6-3-2-4-7(5-6)8(9)10/h2-5H,1H3,(H,9,10)
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$SPLASH: splash10-0006-9300000000-19cda220bb49ced38298 PK$NUM_PEAK: 23 PK$PEAK: m/z int. rel.int. 27 1.99 20 38 1.81 18 39 14.04 140 41 4.16 42 43 2.72 27 45 1.81 18 50 3.62 36 51 5.43 54 62 2.99 30 63 8.61 86 65 20.38 204 77 4.53 45 79 1.81 18 89 6.34 63 90 5.89 59 91 99.99 999 92 16.76 168 118 1.02 10 119 27.9 279 120 1.81 18 135 2.08 21 136 43.57 436 137 3.44 34 //