ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP009155
RECORD_TITLE: TERT-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$NAME: TERT-BUTANETHIOL
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₄H₁₀S
CH$EXACT_MASS: 90.05032
CH$SMILES: CC(C)(C)S
CH$IUPAC: InChI=1S/C4H10S/c1-4(2,3)5/h5H,1-3H3
CH$LINK: INCHIKEY WMXCDAVJEZZYLT-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID0026418

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$SPLASH: splash10-054o-9000000000-2edc0ac235fad52ff9c3
PK$NUM_PEAK: 27
PK$PEAK: m/z int. rel.int.
  15 5.41 54
  26 2.82 28
  27 20.32 203
  28 3.14 31
  29 55.83 558
  33 5.24 52
  37 1.56 16
  38 4.12 41
  39 37.1 371
  40 4.12 41
  41 99.99 999
  42 4.64 46
  45 6.9 69
  47 10 100
  49 2.92 29
  50 2.45 25
  51 2.18 22
  53 2.45 25
  55 6.19 62
  56 3.06 31
  57 97.55 976
  58 4.75 48
  59 10.74 107
  75 19.4 194
  90 35.93 359
  91 1.35 14
  92 1.36 14
//