MassBank Record: JP002633



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

ACCESSION: JP002633
RECORD_TITLE: 3-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$NAME: 3-CHLOROBENZOIC ACID METHYL ESTER CH$COMPOUND_CLASS: N/A CH$FORMULA: C8H7ClO2 CH$EXACT_MASS: 170.01346 CH$SMILES: COC(=O)c(c1)cc(Cl)cc1 CH$IUPAC: InChI=1S/C8H7ClO2/c1-11-8(10)6-3-2-4-7(9)5-6/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$SPLASH: splash10-03kc-3900000000-52d03b3bdb733f3e8171 PK$NUM_PEAK: 27 PK$PEAK: m/z int. rel.int. 49 2.1 21 50 24.5 245 51 12.4 124 57 0.18 2 59 3.4 34 61 2.1 21 63 2.4 24 67 0.37 4 73 3.4 34 74 14.9 149 75 55.2 552 76 1.54 15 77 6.8 68 85 4.3 43 111 99.99 999 112 0.62 6 113 32.9 329 114 2.1 21 135 3.7 37 139 2.32 23 140 18 180 141 71.4 714 142 4 40 169 0.34 3 170 72 720 171 5.5 55 172 22.9 229 //