ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP008753
RECORD_TITLE: ISOBUTYL METHYL 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$NAME: ISOBUTYL METHYL SULFIDE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₅H₁₂S
CH$EXACT_MASS: 104.06597
CH$SMILES: CC(C)CSC
CH$IUPAC: InChI=1S/C5H12S/c1-5(2)4-6-3/h5H,4H2,1-3H3
CH$LINK: INCHIKEY UYVGFIKOUAFDOZ-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID40294603

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$SPLASH: splash10-08fr-9100000000-a03106d837acefb88ab5
PK$NUM_PEAK: 32
PK$PEAK: m/z int. rel.int.
  15 4.75 48
  27 18.17 182
  28 2.3 23
  29 15.01 150
  35 6.39 64
  38 1.85 19
  39 22.06 221
  40 2.32 23
  41 43.43 434
  42 2.28 23
  43 9.91 99
  45 16.85 169
  46 11.27 113
  47 18.51 185
  48 4.37 44
  49 4.36 44
  53 1.84 18
  55 8.68 87
  56 45.62 456
  57 23.39 234
  58 1.43 14
  59 2.14 21
  61 99.99 999
  62 21.1 211
  63 5.27 53
  71 1.4 14
  73 1.55 16
  75 6.75 68
  89 4.57 46
  104 46.96 470
  105 2.95 30
  106 1.71 17
//