MassBank Record: JP002194



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

ACCESSION: JP002194
RECORD_TITLE: 4-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$NAME: 4-METHYLBENZOIC ACID METHYL ESTER CH$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$INSTRUMENT: JEOL JMS-01-SG AC$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$SPLASH: splash10-014i-5900000000-9a63e568df5efb37c37f PK$NUM_PEAK: 27 PK$PEAK: m/z int. rel.int. 44 1.6 16 45 2.2 22 50 0.9 9 51 0.29 3 53 1.6 16 59 4.5 45 61 1.3 13 62 0.09 1 63 4.5 45 65 15.7 157 74 2.2 22 89 0.39 4 90 3.6 36 91 41.6 416 92 2.2 22 106 0.16 2 107 0.6 6 110 0.9 9 118 0.9 9 119 99.99 999 120 8.8 88 133 1.3 13 135 0.9 9 149 0.13 1 150 30.1 301 151 2.6 26 152 0.6 6 //