ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP004950
RECORD_TITLE: 1,1-DICHLORO-4-PHENYL-2-BUTANOL; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: MASS SPECTROSCOPY SOC. OF JAPAN (MSSJ)
LICENSE: CC BY-NC-SA

CH$NAME: 1,1-DICHLORO-4-PHENYL-2-BUTANOL
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₀H₁₂Cl₂O
CH$EXACT_MASS: 218.02652
CH$SMILES: ClC(Cl)C(O)CCc(c1)cccc1
CH$IUPAC: InChI=1S/C10H12Cl2O/c11-10(12)9(13)7-6-8-4-2-1-3-5-8/h1-5,9-10,13H,6-7H2
CH$LINK: INCHIKEY AVSJCXYYYDSTTG-UHFFFAOYSA-N
CH$LINK: PUBCHEM CID:21705698

AC$INSTRUMENT: JEOL JMS-D-3000
AC$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$SPLASH: splash10-0006-9600000000-5f0243cc4ae7922a4c0a
PK$NUM_PEAK: 26
PK$PEAK: m/z int. rel.int.
  49 1.23 12
  65 7.17 72
  68 1.43 14
  83 2.16 22
  85 1.94 19
  89 1.33 13
  91 99.99 999
  92 22.39 224
  104 17.67 177
  105 1.99 20
  117 26.57 266
  118 3.42 34
  125 10.18 102
  129 5.56 56
  135 3.5 35
  143 1.67 17
  146 4.1 41
  147 6.15 62
  174 2.65 27
  182 8.31 83
  183 1.65 17
  184 3.18 32
  218 6.07 61
  219 1.23 12
  220 4.27 43
  222 1.16 12
//