ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP005320
RECORD_TITLE: PHENYLACETYL 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

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

MS$FOCUSED_ION: ION_TYPE [M]+*

PK$SPLASH: splash10-0006-9200000000-456eb171451d26a6b5eb
PK$NUM_PEAK: 40
PK$PEAK: m/z int. rel.int.
  27 1.43 14
  36 2.03 20
  37 2.27 23
  38 4.89 49
  39 13.58 136
  40 1.91 19
  41 2.09 21
  43 2.27 23
  44 1.01 10
  44.5 1.07 11
  45 3.28 33
  45.5 5.71 57
  49 1.07 11
  50 6.08 61
  51 8.02 80
  52 1.49 15
  59 2.3 23
  59.5 1.49 15
  61 2.97 30
  62 6.68 67
  63 15.86 159
  64 5.96 60
  65 12.85 129
  74 1.73 17
  75 1.31 13
  77 1.43 14
  85 1.06 11
  86 1.66 17
  87 1.25 13
  89 29.57 296
  90 39.57 396
  91 99.99 999
  92 8.15 82
  105 1.19 12
  112 1.31 13
  118 38.88 389
  119 7.86 79
  154 15.13 151
  155 1.37 14
  156 5 50
//