ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP008743
RECORD_TITLE: 2-METHYLBUTANETHIOL; 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$NAME: 2-METHYLBUTANETHIOL
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₅H₁₂S
CH$EXACT_MASS: 104.06597
CH$SMILES: CCC(C)CS
CH$IUPAC: InChI=1S/C5H12S/c1-3-5(2)4-6/h5-6H,3-4H2,1-2H3
CH$LINK: INCHIKEY WGQKBCSACFQGQY-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID50862771

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$SPLASH: splash10-0a6u-9000000000-4003a7b64aa50746bc0b
PK$NUM_PEAK: 39
PK$PEAK: m/z int. rel.int.
  15 3.11 31
  26 2.57 26
  27 32.58 326
  28 3.7 37
  29 60.92 609
  30 1.24 12
  33 1.66 17
  34 1.27 13
  35 1.18 12
  37 1.05 11
  38 2.15 22
  39 33.83 338
  40 3.5 35
  41 99.99 999
  42 26.59 266
  43 18.72 187
  45 16.32 163
  46 5.5 55
  47 36.92 369
  48 5.25 53
  49 3.85 39
  50 1.41 14
  51 2.11 21
  53 3.8 38
  54 1.59 16
  55 48.21 482
  56 27.7 277
  57 51.14 511
  58 2.34 23
  59 2.45 25
  61 2.51 25
  69 1.81 18
  70 55.63 556
  71 4.74 47
  74 1.69 17
  75 10.53 105
  104 32.52 325
  105 1.69 17
  106 1.23 12
//