ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP000913
RECORD_TITLE: ALLYL METHYL DISULFIDE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: KAMEOKA H, DEPT. OF APPLIED CHEMISTRY, FAC. OF SCI. AND ENGINEERING, KINKI UNIV.
LICENSE: CC BY-NC-SA

CH$NAME: ALLYL METHYL DISULFIDE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₄H₈S₂
CH$EXACT_MASS: 120.00674
CH$SMILES: C=CCSSC
CH$IUPAC: InChI=1S/C4H8S2/c1-3-4-6-5-2/h3H,1,4H2,2H3
CH$LINK: INCHIKEY XNZOTQPMYMCTBZ-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID60176199

AC$INSTRUMENT: SHIMADZU LKB-9000B
AC$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$SPLASH: splash10-006x-9400000000-b22656c2fc50d291c433
PK$NUM_PEAK: 19
PK$PEAK: m/z int. rel.int.
  39 9.6 96
  41 99.99 999
  42 3.6 36
  43 0.25 3
  45 8.1 81
  57 6 60
  64 1.5 15
  70 0.16 2
  71 4.3 43
  72 2.9 29
  73 8.7 87
  74 0.27 3
  79 5.2 52
  80 5 50
  85 2.6 26
  87 0.3 3
  120 71.6 716
  121 4.5 45
  122 6.3 63
//