ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP009136
RECORD_TITLE: DIALLYL DISULFIDE; 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$NAME: DIALLYL DISULFIDE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₆H₁₀S₂
CH$EXACT_MASS: 146.02239
CH$SMILES: C=CCSSCC=C
CH$IUPAC: InChI=1S/C6H10S2/c1-3-5-7-8-6-4-2/h3-4H,1-2,5-6H2
CH$LINK: INCHIKEY PFRGXCVKLLPLIP-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID9035206

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$SPLASH: splash10-0006-9000000000-4339fab2bebf0f0edead
PK$NUM_PEAK: 29
PK$PEAK: m/z int. rel.int.
  15 1.86 19
  26 1.05 11
  27 4.88 49
  37 1.44 14
  38 4.04 40
  39 42.81 428
  40 3.14 31
  41 99.99 999
  42 2.88 29
  45 20.31 203
  46 3.59 36
  47 5.27 53
  53 1.09 11
  58 1.1 11
  61 1.07 11
  64 4.03 40
  69 1.33 13
  71 4.43 44
  72 3.18 32
  73 5.82 58
  74 1.21 12
  79 2.06 21
  81 12.49 125
  85 2.74 27
  103 3.07 31
  104 1.32 13
  105 5.93 59
  113 2.54 25
  146 9.53 95
//