MassBank Record: JP000047



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

ACCESSION: JP000047
RECORD_TITLE: METHYL PARA TOLUATE; 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$NAME: METHYL PARA TOLUATE CH$NAME: PARA TOLUIC ACID METHYL ESTER CH$COMPOUND_CLASS: N/A CH$FORMULA: C9H10O2 CH$EXACT_MASS: 150.06808 CH$SMILES: COC(=O)c(c1)ccc(C)c1 CH$IUPAC: InChI=1S/C9H10O2/c1-7-3-5-8(6-4-7)9(10)11-2/h3-6H,1-2H3
AC$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: splash10-014i-5900000000-c3eb93cfbb7c8782e76a PK$NUM_PEAK: 16 PK$PEAK: m/z int. rel.int. 15 1.6 16 39 7.86 79 41 1.33 13 50 1.83 18 51 2.93 29 62 1.46 15 63 5.85 59 65 18.02 180 89 4.39 44 90 2.24 22 91 35.53 355 92 1.87 19 119 99.99 999 120 8.18 82 150 18.2 182 151 1.19 12 //