ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP007659
RECORD_TITLE: 3-PHENYLPROPANOL; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: TAJIMA S, GUNMA COLLEGE OF TECHNOLOGY
LICENSE: CC BY-NC-SA

CH$NAME: 3-PHENYLPROPANOL
CH$NAME: BENZENEPROPANOL
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: CAS 122-97-4
CH$LINK: INCHIKEY VAJVDSVGBWFCLW-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID6041638

AC$INSTRUMENT: HITACHI RMU-7M
AC$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$SPLASH: splash10-014l-9600000000-224fcad0fa4e8d6a5168
PK$NUM_PEAK: 41
PK$PEAK: m/z int. rel.int.
  18 2.29 23
  27 5.96 60
  29 2.83 28
  31 4.7 47
  38 1.2 12
  39 10.06 101
  41 2.35 24
  50 3.92 39
  51 10.78 108
  52 2.53 25
  53 1.33 13
  57 1.08 11
  62 1.69 17
  63 5.48 55
  64 1.2 12
  65 17.89 179
  66 1.27 13
  74 1.69 17
  75 1.39 14
  76 1.69 17
  77 21.99 220
  78 14.7 147
  79 16.27 163
  89 4.4 44
  90 1.81 18
  91 99.99 999
  92 49.88 499
  93 3.61 36
  102 1.69 17
  103 12.65 127
  104 4.28 43
  105 13.67 137
  106 1.51 15
  115 8.31 83
  116 2.11 21
  117 84.64 846
  118 58.37 584
  119 5.42 54
  134 1.69 17
  136 9.76 98
  137 0.9 9
//