ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP006571
RECORD_TITLE: 1-PHENYLETHANOL; 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$NAME: 1-PHENYLETHANOL
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₈H₁₀O
CH$EXACT_MASS: 122.07316
CH$SMILES: CC(O)c(c1)cccc1
CH$IUPAC: InChI=1S/C8H10O/c1-7(9)8-5-3-2-4-6-8/h2-7,9H,1H3
CH$LINK: INCHIKEY WAPNOHKVXSQRPX-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID1020859

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$SPLASH: splash10-056r-9400000000-d6ce79b82cb4236f5801
PK$NUM_PEAK: 43
PK$PEAK: m/z int. rel.int.
  15 3.48 35
  17 1.63 16
  18 9.39 94
  26 1.53 15
  27 8.54 85
  29 4.42 44
  31 3.04 30
  38 2.83 28
  39 10.94 109
  41 1.07 11
  42 1.25 13
  43 37.69 377
  44 1.47 15
  45 6.69 67
  49 1.08 11
  50 14.53 145
  51 35.21 352
  52 7.27 73
  53 3.76 38
  54 5.32 53
  62 2.23 22
  63 4.82 48
  65 2.62 26
  74 4.51 45
  75 3.08 31
  76 3.12 31
  77 71.08 711
  78 26.44 264
  79 97.18 972
  80 5.78 58
  89 1.3 13
  91 2.91 29
  102 1.47 15
  103 5.46 55
  104 8.56 86
  105 28.92 289
  106 2.37 24
  107 99.99 999
  108 8.13 81
  120 5.29 53
  121 5.4 54
  122 31.3 313
  123 2.1 21
//