ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP011056
RECORD_TITLE: BENZHYDROL; 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$NAME: BENZHYDROL
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₃H₁₂O
CH$EXACT_MASS: 184.08882
CH$SMILES: c(c2)ccc(c2)C(O)c(c1)cccc1
CH$IUPAC: InChI=1S/C13H12O/c14-13(11-7-3-1-4-8-11)12-9-5-2-6-10-12/h1-10,13-14H
CH$LINK: CAS 91-01-0
CH$LINK: INCHIKEY QILSFLSDHQAZET-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID2059015

AC$INSTRUMENT: HITACHI M-80
AC$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$SPLASH: splash10-057i-8900000000-1e9a474626dc4828f2e1
PK$NUM_PEAK: 38
PK$PEAK: m/z int. rel.int.
  18 1.05 11
  26 1.04 10
  27 5.55 56
  29 3.42 34
  38 2.03 20
  39 8.33 83
  50 11.27 113
  51 29.18 292
  52 5.97 60
  53 2.59 26
  62 1.96 20
  63 1.05 11
  74 3.8 38
  75 2.99 30
  76 3.42 34
  77 55.18 552
  78 40.54 405
  79 35.69 357
  80 2.34 23
  87 1.04 10
  89 1.53 15
  105 99.99 999
  106 11.24 112
  107 14.64 146
  108 1.08 11
  115 2.4 24
  128 1.35 14
  139 1.37 14
  152 3.09 31
  153 1.51 15
  155 2.8 28
  165 8.67 87
  166 3.8 38
  167 5.57 56
  168 1.42 14
  183 16.1 161
  184 50.54 505
  185 7.03 70
//