ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP009626
RECORD_TITLE: 3-CHLOROBENZHYDROL; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: THE INSTITUTE OF SCIENTIFIC AND INDUSTRIALRESEARCH
LICENSE: CC BY-NC-SA
CH$NAME: 3-CHLOROBENZHYDROL
CH$NAME: ALPHA-(3-CHLOROPHENYL)-ALPHA-PHENYLMETHANOL
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C13H11ClO
CH$EXACT_MASS: 218.04984
CH$SMILES: Clc(c2)cc(cc2)C(O)c(c1)cccc1
CH$IUPAC: InChI=1S/C13H11ClO/c14-12-8-4-7-11(9-12)13(15)10-5-2-1-3-6-10/h1-9,13,15H
CH$LINK: INCHIKEY DDCJHFYXAPQYLA-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID80341089
AC$INSTRUMENT: JEOL JMS-DX-300
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: splash10-056r-9810000000-621d48f96413ee2a9a35
PK$NUM_PEAK: 59
PK$PEAK: m/z int. rel.int.
  27 3.8 38
  29 4.6 46
  38 1.3 13
  39 0.62 6
  44 1.3 13
  50 12.5 125
  51 29.2 292
  52 0.54 5
  53 2.2 22
  62 2 20
  63 5 50
  65 0.1 1
  73 1.1 11
  74 5 50
  75 15.5 155
  76 0.77 8
  77 75.6 756
  78 29 290
  79 28.9 289
  80 0.19 2
  82 1.8 18
  83 1.6 16
  85 1.6 16
  86 0.11 1
  87 2 20
  89 2.6 26
  104 1.2 12
  105 99.99 999
  106 12.1 121
  107 9 90
  111 13.4 134
  112 0.73 7
  113 9.8 98
  114 3 30
  115 3.7 37
  126 0.11 1
  127 1.4 14
  139 27.4 274
  140 3.3 33
  141 1.5 15
  142 1.3 13
  143 2 20
  151 1.6 16
  152 0.5 5
  153 4 40
  154 1.6 16
  155 1.3 13
  163 0.23 2
  164 2 20
  165 11.5 115
  166 3.8 38
  181 0.14 1
  183 6.9 69
  184 4.4 44
  201 1.6 16
  217 0.39 4
  218 15.8 158
  219 3.3 33
  220 5.4 54
//
