MassBank Record: JP002199



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

ACCESSION: JP002199
RECORD_TITLE: BENZOIC 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$NAME: BENZOIC ACID METHYL ESTER CH$COMPOUND_CLASS: N/A CH$FORMULA: C8H8O2 CH$EXACT_MASS: 136.05243 CH$SMILES: COC(=O)c(c1)cccc1 CH$IUPAC: InChI=1S/C8H8O2/c1-10-8(9)7-5-3-2-4-6-7/h2-6H,1H3
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$SPLASH: splash10-0a6r-6900000000-e50a4550fe1c8b263d81 PK$NUM_PEAK: 23 PK$PEAK: m/z int. rel.int. 45 10.5 105 49 1.2 12 50 7.2 72 51 2.03 20 53 1.6 16 58 0.8 8 59 5 50 60 0.16 2 73 1.6 16 74 5 50 75 1.6 16 76 0.25 3 77 54.2 542 78 5 50 91 0.8 8 92 0.46 5 105 99.99 999 106 6.3 63 107 1.2 12 131 0.16 2 135 2.9 29 136 31.3 313 137 2.1 21 //