ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP005937
RECORD_TITLE: 3-PHENYL-1-PROPANOL; CI-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$NAME: 3-PHENYL-1-PROPANOL
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₉H₁₂O
CH$EXACT_MASS: 136.08882
CH$SMILES: OCCCc(c1)cccc1
CH$IUPAC: InChI=1S/C9H12O/c10-8-4-7-9-5-2-1-3-6-9/h1-3,5-6,10H,4,7-8H2
CH$LINK: INCHIKEY VAJVDSVGBWFCLW-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID6041638

AC$INSTRUMENT: HITACHI M-80
AC$INSTRUMENT_TYPE: CI-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION_ENERGY 100 eV
AC$MASS_SPECTROMETRY: REAGENT_GAS ISOBUTANE

PK$SPLASH: splash10-014i-4900000000-1e8aea0aa908c36770d9
PK$NUM_PEAK: 20
PK$PEAK: m/z int. rel.int.
  77 8.7 87
  78 4.12 41
  79 4.97 50
  89 2.12 21
  90 1.27 13
  91 64.77 648
  92 26.23 262
  93 1.94 19
  102 1.06 11
  103 8.17 82
  104 2.94 29
  105 9.34 93
  106 1.04 10
  115 6.11 61
  117 99.99 999
  118 66.66 667
  119 15.9 159
  131 1.08 11
  136 30.13 301
  137 3.3 33
//