ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP000203
RECORD_TITLE: BENZYL CHLORIDE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: TAJIMA S, GUNMA COLLEGE OF TECHNOLOGY
LICENSE: CC BY-NC-SA

CH$NAME: BENZYL CHLORIDE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₇H₇Cl
CH$EXACT_MASS: 126.02363
CH$SMILES: ClCc(c1)cccc1
CH$IUPAC: InChI=1S/C7H7Cl/c8-6-7-4-2-1-3-5-7/h1-5H,6H2
CH$LINK: INCHIKEY KCXMKQUNVWSEMD-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID0020153

AC$INSTRUMENT: HITACHI RMU-7M
AC$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$SPLASH: splash10-0006-9200000000-47bb06f55920c2d12977
PK$NUM_PEAK: 17
PK$PEAK: m/z int. rel.int.
  38 1.76 18
  39 5.89 59
  50 2.44 24
  51 3.12 31
  61 1.02 10
  62 2.44 24
  63 6.23 62
  64 1.36 14
  65 11.25 113
  89 6.23 62
  90 2.37 24
  91 99.99 999
  92 7.45 75
  125 3.32 33
  126 27.51 275
  127 2.85 29
  128 8.47 85
//