ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP009154
RECORD_TITLE: PROPANETHIOL; 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$NAME: PROPANETHIOL
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₃H₈S
CH$EXACT_MASS: 76.03467
CH$SMILES: CCCS
CH$IUPAC: InChI=1S/C3H8S/c1-2-3-4/h4H,2-3H2,1H3
CH$LINK: INCHIKEY SUVIGLJNEAMWEG-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID5026750

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$SPLASH: splash10-002g-9000000000-abd8f7bc9c83c0f98d25
PK$NUM_PEAK: 33
PK$PEAK: m/z int. rel.int.
  15 5.35 54
  26 8.34 83
  27 58.44 584
  28 4.04 40
  29 7.96 80
  32 1.75 18
  33 6.51 65
  34 2.45 25
  35 7.8 78
  37 3.01 30
  38 6.72 67
  39 38.48 385
  40 8.19 82
  41 76.74 767
  42 83.05 831
  43 86.94 869
  44 2.61 26
  45 31.83 318
  46 26.15 262
  47 99.99 999
  48 11.65 117
  49 3.93 39
  57 2.5 25
  58 7.02 70
  59 5.92 59
  60 1.09 11
  61 11.96 120
  69 2.13 21
  71 1.36 14
  75 1.07 11
  76 94.42 944
  77 3.41 34
  78 3.26 33
//