ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP009126
RECORD_TITLE: ALLYL PROPYL SULFIDE; 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$NAME: ALLYL PROPYL SULFIDE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₆H₁₂S
CH$EXACT_MASS: 116.06597
CH$SMILES: CCCSCC=C
CH$IUPAC: InChI=1S/C6H12S/c1-3-5-7-6-4-2/h3H,1,4-6H2,2H3
CH$LINK: INCHIKEY JMLIYQJQKZYHDQ-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID80182136

AC$INSTRUMENT: HITACHI
AC$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$SPLASH: splash10-0077-9000000000-eacd0b0d3cfdc2f56ebe
PK$NUM_PEAK: 36
PK$PEAK: m/z int. rel.int.
  15 3.67 37
  26 2.26 23
  27 23.77 238
  28 1.34 13
  29 4.47 45
  37 1.71 17
  38 4.61 46
  39 46.81 468
  40 4.17 42
  41 99.99 999
  42 5.72 57
  43 13.41 134
  45 49.26 493
  46 12.71 127
  47 20.66 207
  48 1 10
  53 4.89 49
  55 1.38 14
  58 3.6 36
  59 8.43 84
  60 1.59 16
  61 1.87 19
  69 1.67 17
  71 5.15 52
  72 3.91 39
  73 24.7 247
  74 78.33 783
  75 11.32 113
  76 3.66 37
  85 3.96 40
  87 29.97 300
  88 1.71 17
  89 1.97 20
  116 42.22 422
  117 2.68 27
  118 1.74 17
//