ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP009410
RECORD_TITLE: PHENYLACETYL CHLORIDE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: GUNMA COLLEGE OF TECHNOLOGY
LICENSE: CC BY-NC-SA

CH$NAME: PHENYLACETYL CHLORIDE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₈H₇ClO
CH$EXACT_MASS: 154.01854
CH$SMILES: O=C(Cl)Cc(c1)cccc1
CH$IUPAC: InChI=1S/C8H7ClO/c9-8(10)6-7-4-2-1-3-5-7/h1-5H,6H2
CH$LINK: INCHIKEY VMZCDNSFRSVYKQ-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID6059281

AC$INSTRUMENT: HITACHI M-80A
AC$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$SPLASH: splash10-0006-9100000000-4fabf0611b7739a53717
PK$NUM_PEAK: 41
PK$PEAK: m/z int. rel.int.
  14 2.83 28
  15 7.71 77
  26 5.24 52
  27 6.85 69
  29 1.51 15
  35 5.12 51
  36 16.09 161
  37 3.31 33
  38 6.94 69
  39 18.83 188
  40 1.68 17
  41 3.02 30
  42 2.5 25
  43 23.28 233
  46 3.02 30
  49 1.17 12
  50 8.49 85
  51 9.99 100
  52 2.92 29
  58 4.53 45
  61 2.3 23
  62 5.62 56
  63 12.99 130
  64 3.64 36
  65 18.3 183
  66 1.19 12
  74 1.65 17
  75 1.24 12
  77 3.27 33
  89 10.96 110
  90 8.47 85
  91 99.99 999
  92 8.34 83
  105 4.1 41
  118 5.94 59
  119 6.23 62
  125 3.13 31
  127 1.01 10
  154 12.49 125
  155 1.12 11
  156 4.38 44
//