ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP009491
RECORD_TITLE: 1,3-PROPANEDITHIOL; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: NARA WOMEN'S UNIVERSITY
LICENSE: CC BY-NC-SA
CH$NAME: 1,3-PROPANEDITHIOL
CH$NAME: 1,3-DIMERCAPTOPROPANE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C3H8S2
CH$EXACT_MASS: 108.00674
CH$SMILES: SCCCS
CH$IUPAC: InChI=1S/C3H8S2/c4-2-1-3-5/h4-5H,1-3H2
CH$LINK: CAS 109-80-8
CH$LINK: INCHIKEY ZJLMKPKYJBQJNH-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID0059376
AC$INSTRUMENT: HITACHI M-80
AC$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$SPLASH: splash10-0abd-9200000000-6a18983666e306b5d1d7
PK$NUM_PEAK: 46
PK$PEAK: m/z int. rel.int.
  15 1.43 14
  26 4.22 42
  27 19.57 196
  28 4.41 44
  29 1.3 13
  32 4.64 46
  33 6.85 69
  34 6.54 65
  35 8.88 89
  37 1.9 19
  38 3.51 35
  39 25.18 252
  40 3.22 32
  41 92.51 925
  42 6.6 66
  43 1.25 13
  44 2.08 21
  45 42.63 426
  46 28.7 287
  47 59.94 599
  48 3.33 33
  49 2.7 27
  57 2.06 21
  58 7.57 76
  59 14.46 145
  60 6.97 70
  61 35.73 357
  62 1.73 17
  63 1.56 16
  64 10.31 103
  66 1.91 19
  69 2.85 29
  71 4.17 42
  72 2.11 21
  73 12.37 124
  74 72.83 728
  75 9.99 100
  76 4.3 43
  78 6.09 61
  79 2.02 20
  80 1.37 14
  106 37.61 376
  107 7.88 79
  108 99.99 999
  109 6.31 63
  110 8.86 89
//
