MassBank Record: JP000045



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

ACCESSION: JP000045
RECORD_TITLE: PARA 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$NAME: PARA TOLUIC ACID CH$COMPOUND_CLASS: N/A CH$FORMULA: C8H8O2 CH$EXACT_MASS: 136.05243 CH$SMILES: Cc(c1)ccc(c1)C(O)=O CH$IUPAC: InChI=1S/C8H8O2/c1-6-2-4-7(5-3-6)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$SPLASH: splash10-00ko-9400000000-cfbfdc2f148970f31c8e PK$NUM_PEAK: 22 PK$PEAK: m/z int. rel.int. 27 2.07 21 38 1.94 19 39 13.83 138 41 4.63 46 43 2.9 29 44 1.11 11 45 2.07 21 50 4.29 43 51 6.09 61 62 3.6 36 63 9.75 98 64 2.01 20 65 24.14 241 77 4.29 43 89 6.78 68 90 4.77 48 91 99.99 999 92 15.77 158 119 44.4 444 120 3.39 34 136 50 500 137 4.01 40 //