ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP008742
RECORD_TITLE: BUTANETHIOL; 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$NAME: BUTANETHIOL
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₄H₁₀S
CH$EXACT_MASS: 90.05032
CH$SMILES: CCCCS
CH$IUPAC: InChI=1S/C4H10S/c1-2-3-4-5/h5H,2-4H2,1H3
CH$LINK: INCHIKEY WQAQPCDUOCURKW-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID6026824

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$SPLASH: splash10-054o-9000000000-a6dc170a091918ad8ebd
PK$NUM_PEAK: 35
PK$PEAK: m/z int. rel.int.
  15 2.3 23
  26 5.68 57
  27 44.66 447
  28 14.98 150
  29 31.36 314
  33 2.14 21
  34 1.77 18
  35 7.26 73
  37 1 10
  38 1.84 18
  39 21.14 211
  40 4.01 40
  41 82.96 830
  42 4.97 50
  43 11.34 113
  45 16.02 160
  46 9.69 97
  47 37.82 378
  48 6.02 60
  49 2.22 22
  50 1.67 17
  51 1.45 15
  53 1.86 19
  54 1.01 10
  55 12.43 124
  56 99.99 999
  57 16.71 167
  58 4.66 47
  59 4.82 48
  60 2.16 22
  61 19.67 197
  62 1.13 11
  90 51.4 514
  91 2.42 24
  92 1.91 19
//