ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP004679
RECORD_TITLE: METHYL M-CHLOROBENZOATE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: MASS SPECTROSCOPY SOC. OF JAPAN (MSSJ)
LICENSE: CC BY-NC-SA

CH$NAME: METHYL M-CHLOROBENZOATE
CH$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)cc(Cl)cc1
CH$IUPAC: InChI=1S/C8H7ClO2/c1-11-8(10)6-3-2-4-7(9)5-6/h2-5H,1H3
CH$LINK: CAS 610-96-8
CH$LINK: INCHIKEY XRDRKVPNHIWTBX-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID6027507

AC$INSTRUMENT: JEOL JMS-D-3000
AC$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$SPLASH: splash10-01w0-1900000000-e303ebdd66d909670413
PK$NUM_PEAK: 11
PK$PEAK: m/z int. rel.int.
  50 10.98 110
  74 5.94 59
  75 25.58 256
  76 6.84 68
  111 50 500
  113 16.44 164
  139 99.99 999
  140 9.68 97
  141 39.82 398
  170 42.61 426
  172 13.97 140
//