MassBank Record: JP002195



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

ACCESSION: JP002195
RECORD_TITLE: 3-METHYLBENZOIC ACID METHYL ESTER; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: KOGA M, UNIV. OF OCCUPATIONAL AND ENVIRONMENTAL HEALTH
LICENSE: CC BY-NC-SA

CH$NAME: 3-METHYLBENZOIC ACID METHYL ESTER CH$COMPOUND_CLASS: N/A CH$FORMULA: C9H10O2 CH$EXACT_MASS: 150.06808 CH$SMILES: COC(=O)c(c1)cc(C)cc1 CH$IUPAC: InChI=1S/C9H10O2/c1-7-4-3-5-8(6-7)9(10)11-2/h3-6H,1-2H3
AC$INSTRUMENT: JEOL JMS-01-SG AC$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$SPLASH: splash10-014l-5900000000-49d98d581fea2767e5bd PK$NUM_PEAK: 25 PK$PEAK: m/z int. rel.int. 45 2.1 21 50 1.7 17 51 3.5 35 53 0.14 1 59 2.5 25 62 2.8 28 63 5 50 65 1.54 15 66 1 10 74 2.5 25 89 4.6 46 90 0.39 4 91 57.9 579 92 3.5 35 106 1.4 14 110 0.14 1 118 1.4 14 119 99.99 999 120 8.2 82 133 0.14 1 135 2.1 21 149 1 10 150 34.5 345 151 0.25 3 152 1.7 17 //