ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP005847
RECORD_TITLE: 3-PHENYL-1-PROPANOL; 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$NAME: 3-PHENYL-1-PROPANOL
CH$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$INSTRUMENT: HITACHI RMU-6M
AC$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$SPLASH: splash10-014l-9600000000-cd72498d79a581fa8818
PK$NUM_PEAK: 46
PK$PEAK: m/z int. rel.int.
  27 8.72 87
  28 3.81 38
  29 2.6 26
  31 7.8 78
  38 1.81 18
  39 13.69 137
  40 1.24 12
  41 4.18 42
  43 1.47 15
  44 1.81 18
  50 5.77 58
  51 15.5 155
  52 4.31 43
  53 2.26 23
  57 2.03 20
  58 1.58 16
  62 2.03 20
  63 6.9 69
  64 1.81 18
  65 19.23 192
  66 1.69 17
  74 1.7 17
  75 1.58 16
  76 1.58 16
  77 20.25 203
  78 12.9 129
  79 13.69 137
  80 1.13 11
  89 3.95 40
  90 2.6 26
  91 99.99 999
  92 59.49 595
  93 4.64 46
  102 1.81 18
  103 11.09 111
  104 4.52 45
  105 18.44 184
  106 1.58 16
  107 1.36 14
  115 4.75 48
  116 4.18 42
  117 73.65 737
  118 70.5 705
  119 6.79 68
  136 40.39 404
  137 4.29 43
//