ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP009129
RECORD_TITLE: DI-TERT-BUTYL 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$NAME: DI-TERT-BUTYL SULFIDE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₈H₁₈S
CH$EXACT_MASS: 146.11292
CH$SMILES: CC(C)(C)SC(C)(C)C
CH$IUPAC: InChI=1S/C8H18S/c1-7(2,3)9-8(4,5)6/h1-6H3
CH$LINK: INCHIKEY LNMBCRKRCIMQLW-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID5021887

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$SPLASH: splash10-0a4i-9000000000-0359c1005e31d2034386
PK$NUM_PEAK: 21
PK$PEAK: m/z int. rel.int.
  27 4.16 42
  29 13.63 136
  39 9.16 92
  40 1.03 10
  41 28.58 286
  42 1.31 13
  45 1.79 18
  47 1.64 16
  49 1.45 15
  55 3.32 33
  56 9.32 93
  57 99.99 999
  58 4.16 42
  59 6.95 70
  75 8.82 88
  88 2.18 22
  89 2.36 24
  90 4.81 48
  91 2.7 27
  146 13.78 138
  147 1.32 13
//