MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP005288

BENZYL CHLORIDE; EI-B; MS

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ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP005288
RECORD_TITLE: BENZYL CHLORIDE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: YAMAMOTO M, DEP. CHEMISTRY, FAC. SCIENCE, NARA WOMEN'S UNIV.
LICENSE: CC BY-NC-SA

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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

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AC$INSTRUMENT: HITACHI RMU-6M
AC$INSTRUMENT_TYPE: EI-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION_ENERGY 70 eV

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MS$FOCUSED_ION: ION_TYPE [M]+*

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PK$SPLASH: splash10-0006-9100000000-67b83a9d6a1325358c6b
PK$NUM_PEAK: 24
PK$PEAK: m/z int. rel.int.
  37 1.19 12
  38 2.4 24
  39 8.43 84
  41 1.56 16
  43 1.14 11
  44 1.09 11
  45 4.16 42
  45.5 1.14 11
  50 3.29 33
  51 4.68 47
  52 1.3 13
  61 1.25 13
  62 3.17 32
  63 7.7 77
  64 1.94 19
  65 10.61 106
  89 5.2 52
  90 2.29 23
  91 99.99 999
  92 7.81 78
  125 2.81 28
  126 22.04 220
  127 2.7 27
  128 7.28 73
//