ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP009156
RECORD_TITLE: 2-METHYL-2-BUTANETHIOL; 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$NAME: 2-METHYL-2-BUTANETHIOL
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₅H₁₂S
CH$EXACT_MASS: 104.06597
CH$SMILES: CCC(C)(C)S
CH$IUPAC: InChI=1S/C5H12S/c1-4-5(2,3)6/h6H,4H2,1-3H3
CH$LINK: INCHIKEY IQIBYAHJXQVQGB-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID5061877

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$SPLASH: splash10-002f-9000000000-8fe8afd33a8a6e8b082d
PK$NUM_PEAK: 27
PK$PEAK: m/z int. rel.int.
  14 3.78 38
  26 4.33 43
  27 24.17 242
  29 26.46 265
  39 27.71 277
  40 4.56 46
  41 49.98 500
  42 9.29 93
  43 99.99 999
  45 6.89 69
  47 11.5 115
  50 3.82 38
  51 4.68 47
  53 7.5 75
  55 41.05 411
  58 5.35 54
  59 11.61 116
  61 3.83 38
  69 4.13 41
  70 6.74 67
  71 68.26 683
  72 5.38 54
  75 25.84 258
  89 4.01 40
  104 34.78 348
  105 3.3 33
  106 3.4 34
//