ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP005264
RECORD_TITLE: 3-METHOXY-8-METHYLMERCAPTODECANE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: MASS SPECTROSCOPY SOC. OF JAPAN (MSSJ)
LICENSE: CC BY-NC-SA
CH$NAME: 3-METHOXY-8-METHYLMERCAPTODECANE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C12H26OS
CH$EXACT_MASS: 218.17044
CH$SMILES: CCC(OC)CCCCC(CC)SC
CH$IUPAC: InChI=1S/C12H26OS/c1-5-11(13-3)9-7-8-10-12(6-2)14-4/h11-12H,5-10H2,1-4H3
CH$LINK: INCHIKEY CETCQZRWHPBUBX-UHFFFAOYSA-N
AC$INSTRUMENT: HITACHI M-80
AC$INSTRUMENT_TYPE: EI-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION_ENERGY 20 eV
MS$FOCUSED_ION: ION_TYPE [M]+*
PK$SPLASH: splash10-05fr-9300000000-9cc436f69685dc7bd58d
PK$NUM_PEAK: 22
PK$PEAK: m/z int. rel.int.
  41 49 490
  45 21 210
  55 39.8 398
  61 1.48 15
  71 32.9 329
  73 99.99 999
  83 43.6 436
  89 9.49 95
  97 17.1 171
  99 10.2 102
  109 43.1 431
  115 1 10
  138 25 250
  139 14.3 143
  157 7.2 72
  171 5.79 58
  172 2.3 23
  186 24.5 245
  187 4.6 46
  189 1.74 17
  218 26 260
  219 3.1 31
//
