ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP011314
RECORD_TITLE: 4-CHLOROPHENYLMETHYLCARBINOL; 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$NAME: 4-CHLOROPHENYLMETHYLCARBINOL
CH$NAME: 4-CHLORO-ALPHA-ETHYL ALCOHOL
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₈H₉ClO
CH$EXACT_MASS: 156.03419
CH$SMILES: CC(O)c(c1)ccc(Cl)c1
CH$IUPAC: InChI=1S/C8H9ClO/c1-6(10)7-2-4-8(9)5-3-7/h2-6,10H,1H3
CH$LINK: INCHIKEY MVOSNPUNXINWAD-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID60871854

AC$INSTRUMENT: HITACHI M-2500
AC$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$SPLASH: splash10-004l-9700000000-cbf22a5516f35c6f483e
PK$NUM_PEAK: 58
PK$PEAK: m/z int. rel.int.
  15 3.54 35
  26 1.04 10
  27 4.84 48
  29 6.13 61
  37 1.53 15
  38 3.07 31
  39 6.13 61
  43 39.61 396
  44 1.38 14
  45 5.39 54
  49 1.65 17
  50 18.13 181
  51 23.75 238
  52 3.86 39
  53 1.18 12
  61 2.2 22
  62 3.79 38
  63 6.87 69
  65 3.09 31
  70 1.06 11
  73 3.82 38
  74 11.38 114
  75 23.1 231
  76 6.55 66
  77 99.99 999
  78 13.18 132
  79 1.52 15
  84 1.16 12
  85 3.12 31
  86 1.47 15
  87 1.7 17
  89 3.17 32
  91 5.55 56
  99 1.17 12
  101 2.54 25
  102 3.7 37
  103 8.3 83
  104 1.49 15
  105 4.92 49
  106 3.01 30
  111 10.85 109
  112 11.12 111
  113 34.97 350
  114 5.36 54
  115 9.89 99
  121 11.87 119
  122 1.05 11
  125 1.09 11
  138 1.94 19
  139 9.61 96
  140 1.9 19
  141 87.06 871
  142 7.1 71
  144 2.12 21
  155 1.57 16
  156 28.74 287
  157 3.15 32
  158 8.95 90
//