ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP008744
RECORD_TITLE: 2-METHYLHEPTANE-2-THIOL; 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$NAME: 2-METHYLHEPTANE-2-THIOL
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C8H18S
CH$EXACT_MASS: 146.11292
CH$SMILES: CCCCCC(C)(C)S
CH$IUPAC: InChI=1S/C8H18S/c1-4-5-6-7-8(2,3)9/h9H,4-7H2,1-3H3
CH$LINK: INCHIKEY KSTAKRCVPORMCA-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID9075290
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$SPLASH: splash10-0a4i-9000000000-81fb4d03ffa2bf3fb9c8
PK$NUM_PEAK: 28
PK$PEAK: m/z int. rel.int.
  15 1.07 11
  27 7.63 76
  28 1.02 10
  29 14.09 141
  39 11.24 112
  40 1.4 14
  41 35.07 351
  42 1.49 15
  43 6.69 67
  45 1.26 13
  47 2.52 25
  53 2.15 22
  55 14.94 149
  56 10.83 108
  57 99.99 999
  58 4.63 46
  59 4.8 48
  69 1.54 15
  71 1.02 10
  74 3.97 40
  75 40.14 401
  76 1.62 16
  77 1.63 16
  88 3.03 30
  89 7.8 78
  97 3.37 34
  113 10.7 107
  146 2.46 25
//
