MassBank Record: JP002634



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

ACCESSION: JP002634
RECORD_TITLE: 2-CHLOROBENZOIC 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$NAME: 2-CHLOROBENZOIC ACID METHYL ESTER CH$COMPOUND_CLASS: N/A CH$FORMULA: C8H7ClO2 CH$EXACT_MASS: 170.01346 CH$SMILES: COC(=O)c(c1)c(Cl)ccc1 CH$IUPAC: InChI=1S/C8H7ClO2/c1-11-8(10)6-4-2-3-5-7(6)9/h2-5H,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$SPLASH: splash10-000i-3900000000-2fec1ba51e91e5bf09c7 PK$NUM_PEAK: 14 PK$PEAK: m/z int. rel.int. 50 12.7 127 51 7.7 77 71 2.2 22 74 0.5 5 75 25.9 259 76 4 40 77 3.6 36 111 3.4 34 113 7.7 77 139 99.99 999 140 5.4 54 141 3.4 34 170 28.1 281 172 5.4 54 //