ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP009125
RECORD_TITLE: DIALLYL 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$NAME: DIALLYL SULFIDE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₆H₁₀S
CH$EXACT_MASS: 114.05032
CH$SMILES: C=CCSCC=C
CH$IUPAC: InChI=1S/C6H10S/c1-3-5-7-6-4-2/h3-4H,1-2,5-6H2
CH$LINK: INCHIKEY UBJVUCKUDDKUJF-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID6060470

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$SPLASH: splash10-0075-9000000000-0769cf2b720f4b1d3029
PK$NUM_PEAK: 30
PK$PEAK: m/z int. rel.int.
  15 5.92 59
  27 13.92 139
  29 3.57 36
  37 5.55 56
  38 10.25 103
  39 87.04 870
  40 10.29 103
  41 76.21 762
  42 5.5 55
  45 99.99 999
  46 12.81 128
  47 21.66 217
  53 4.61 46
  58 5.55 56
  59 5.38 54
  67 10.55 106
  68 9.15 92
  69 7.05 71
  71 22.34 223
  72 44.09 441
  73 53.56 536
  74 6.07 61
  79 5.12 51
  80 15.55 156
  81 15.29 153
  85 8.81 88
  86 8.37 84
  87 4.76 48
  99 18.25 183
  114 32.22 322
//