ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP009157
RECORD_TITLE: 3-METHYL-1-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$NAME: 3-METHYL-1-BUTANETHIOL
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₅H₁₂S
CH$EXACT_MASS: 104.06597
CH$SMILES: CC(C)CCS
CH$IUPAC: InChI=1S/C5H12S/c1-5(2)3-4-6/h5-6H,3-4H2,1-2H3
CH$LINK: INCHIKEY GIJGXNFNUUFEGH-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID3060247

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$SPLASH: splash10-0596-9000000000-008ee604b11d844c1846
PK$NUM_PEAK: 39
PK$PEAK: m/z int. rel.int.
  15 2.41 24
  26 2.24 22
  27 30.95 310
  28 5.12 51
  29 20.84 208
  33 1.7 17
  34 1.53 15
  35 4.7 47
  38 1.7 17
  39 25.11 251
  40 3.17 32
  41 46.89 469
  42 36.3 363
  43 37.31 373
  44 1.19 12
  45 12.1 121
  46 4.99 50
  47 34.12 341
  48 1.47 15
  49 1.52 15
  50 1.3 13
  51 1.84 18
  53 4.38 44
  54 2.03 20
  55 99.99 999
  56 6.93 69
  57 6.48 65
  58 3.47 35
  59 4.68 47
  60 5.84 58
  61 31.2 312
  62 2.22 22
  63 1.44 14
  69 3.41 34
  70 90.2 902
  71 6.64 66
  104 39.16 392
  105 2.71 27
  106 1.55 16
//