MassBank Record: JP002632



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

ACCESSION: JP002632
RECORD_TITLE: 4-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$NAME: 4-CHLOROBENZOIC ACID METHYL ESTER CH$COMPOUND_CLASS: N/A CH$FORMULA: C8H7ClO2 CH$EXACT_MASS: 170.01346 CH$SMILES: COC(=O)c(c1)ccc(Cl)c1 CH$IUPAC: InChI=1S/C8H7ClO2/c1-11-8(10)6-2-4-7(9)5-3-6/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$SPLASH: splash10-024i-5900000000-27527e684c27d4f8f350 PK$NUM_PEAK: 25 PK$PEAK: m/z int. rel.int. 49 3 30 50 33.1 331 51 15.2 152 55 0.34 3 57 3 30 59 6.5 65 63 3.4 34 73 0.34 3 74 18.7 187 75 61.1 611 76 14.8 148 77 0.26 3 85 5.2 52 111 99.99 999 112 5.6 56 113 3.4 34 135 3 30 139 33.6 336 140 20.9 209 141 8.73 87 142 4.8 48 169 3.4 34 170 75.9 759 171 0.52 5 172 26.6 266 //