ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP009127
RECORD_TITLE: DIISOPROPYL 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$NAME: DIISOPROPYL SULFIDE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₆H₁₄S
CH$EXACT_MASS: 118.08162
CH$SMILES: CC(C)SC(C)C
CH$IUPAC: InChI=1S/C6H14S/c1-5(2)7-6(3)4/h5-6H,1-4H3
CH$LINK: INCHIKEY XYWDPYKBIRQXQS-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID0060808

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$SPLASH: splash10-01ox-9100000000-42ef19203255107e712c
PK$NUM_PEAK: 32
PK$PEAK: m/z int. rel.int.
  15 2.66 27
  26 1.4 14
  27 27.58 276
  29 1.02 10
  35 1.29 13
  38 2.31 23
  39 25.99 260
  40 3.01 30
  41 52.45 525
  42 12.26 123
  43 99.99 999
  44 2.49 25
  45 9.81 98
  46 1.24 12
  47 10.65 107
  49 1.9 19
  58 4.16 42
  59 19.51 195
  60 10.18 102
  61 92.26 923
  62 2.43 24
  63 3.16 32
  74 2.57 26
  75 10.82 108
  76 18.94 189
  77 3.23 32
  103 45.41 454
  104 2.22 22
  105 1.43 14
  118 29.89 299
  119 2.01 20
  120 1.28 13
//