ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP009390
RECORD_TITLE: PHENOXYACETYL 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$NAME: PHENOXYACETYL CHLORIDE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₈H₇ClO₂
CH$EXACT_MASS: 170.01346
CH$SMILES: O=C(Cl)COc(c1)cccc1
CH$IUPAC: InChI=1S/C8H7ClO2/c9-8(10)6-11-7-4-2-1-3-5-7/h1-5H,6H2
CH$LINK: INCHIKEY PKUPAJQAJXVUEK-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID1061029

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$SPLASH: splash10-0570-9300000000-8b6666b03521d9c8b37f
PK$NUM_PEAK: 46
PK$PEAK: m/z int. rel.int.
  26 3.24 32
  27 5.22 52
  28 35.34 353
  29 7.52 75
  30 3.29 33
  35 11.65 117
  36 60.58 606
  37 3.88 39
  38 19.46 195
  39 31.01 310
  40 4 40
  41 1.04 10
  42 6.64 66
  43 2.28 23
  48 1.03 10
  49 6.57 66
  50 13.87 139
  51 32.4 324
  52 2.8 28
  53 1.5 15
  54 2.47 25
  55 1.99 20
  61 1.73 17
  62 3.44 34
  63 7.76 78
  64 3.35 34
  65 25.26 253
  66 8.9 89
  74 3.56 36
  75 2.51 25
  76 3.04 30
  77 84.27 843
  78 7.85 79
  79 18.19 182
  80 1.19 12
  93 2.47 25
  94 27.59 276
  95 1.89 19
  105 1.45 15
  107 99.99 999
  108 7.86 79
  142 8.47 85
  144 2.81 28
  170 26.35 264
  171 2.41 24
  172 8.69 87
//