ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP006574
RECORD_TITLE: 3-PHENYLPROPANOL; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: HISAHIRO HAGIWARA, CHEMICAL RESEARCH INSTITUTE OF NON-AQUEOUSSOLUTIONS TOHOKU UNIV.
LICENSE: CC BY-NC-SA

CH$NAME: 3-PHENYLPROPANOL
CH$NAME: 3-PHENYLPROPYL ALCOHOL
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$INSTRUMENT: HITACHI M-80B
AC$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$SPLASH: splash10-00kf-9500000000-cc463a7ff1b75d911f86
PK$NUM_PEAK: 51
PK$PEAK: m/z int. rel.int.
  15 1.12 11
  17 1.53 15
  18 9.72 97
  26 1.47 15
  27 9.1 91
  29 5.76 58
  31 13.04 130
  38 2.05 21
  39 13.52 135
  41 3.31 33
  43 1.83 18
  45 2.18 22
  50 6.61 66
  51 19.19 192
  52 4.6 46
  53 2.35 24
  55 1.33 13
  57 1.43 14
  58 1.11 11
  62 2.29 23
  63 8.3 83
  64 1.8 18
  65 22.2 222
  66 2.17 22
  74 2.16 22
  75 2.07 21
  76 1.94 19
  77 24.51 245
  78 15.33 153
  79 12.31 123
  80 1.09 11
  89 4.19 42
  90 2.04 20
  91 99.99 999
  92 53.09 531
  93 3.08 31
  94 3.24 32
  102 1.64 16
  103 11.11 111
  104 5.85 59
  105 13.25 133
  106 1.82 18
  107 1.22 12
  115 4.22 42
  116 2.68 27
  117 72.29 723
  118 56.67 567
  119 4.72 47
  134 3.26 33
  136 24.92 249
  137 1.92 19
//