ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP008748
RECORD_TITLE: 2-THIOPHENEMETHANOL; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: SODA AROMATIC CO., LTD.
LICENSE: CC BY-NC-SA
CH$NAME: 2-THIOPHENEMETHANOL
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C5H6OS
CH$EXACT_MASS: 114.01394
CH$SMILES: OCc(c1)scc1
CH$IUPAC: InChI=1S/C5H6OS/c6-4-5-2-1-3-7-5/h1-3,6H,4H2
CH$LINK: INCHIKEY ZPHGMBGIFODUMF-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID50212979
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$SPLASH: splash10-01p2-9200000000-47c937806f652ce016bb
PK$NUM_PEAK: 55
PK$PEAK: m/z int. rel.int.
  15 1.12 11
  25 1.15 12
  26 3.69 37
  27 8.68 87
  29 10.98 110
  30 1.14 11
  31 8.37 84
  32 1.54 15
  37 5.84 58
  38 8.76 88
  39 39.93 399
  40 1.71 17
  41 6.4 64
  42 1.07 11
  44 1.44 14
  45 73.27 733
  46 2.26 23
  47 4.29 43
  49 2.59 26
  50 7.97 80
  51 8.89 89
  52 3.8 38
  53 20.87 209
  54 1.33 13
  55 2.8 28
  56 1.2 12
  57 15.76 158
  58 18.12 181
  59 5.61 56
  60 1.68 17
  61 2.07 21
  62 2.29 23
  63 2.55 26
  68 1.48 15
  69 9.19 92
  70 3.64 36
  71 4.08 41
  81 31.77 318
  82 4.2 42
  83 3.26 33
  84 3.45 35
  85 93.43 934
  86 6.28 63
  87 4.6 46
  93 1.22 12
  95 2.34 23
  96 2.62 26
  97 73.12 731
  98 4.35 44
  99 2.71 27
  111 4.63 46
  113 4.45 45
  114 99.99 999
  115 6.84 68
  116 4.34 43
//
