ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP009134
RECORD_TITLE: FURFURYL ISOPROPYL SULFIDE; 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$NAME: FURFURYL ISOPROPYL SULFIDE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₈H₁₂OS
CH$EXACT_MASS: 156.06089
CH$SMILES: CC(C)SCc(c1)occ1
CH$IUPAC: InChI=1S/C8H12OS/c1-7(2)10-6-8-4-3-5-9-8/h3-5,7H,6H2,1-2H3
CH$LINK: INCHIKEY WCHRNAKORAINOJ-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID5047665

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$SPLASH: splash10-001i-9100000000-00f793439471b2cd53b7
PK$NUM_PEAK: 21
PK$PEAK: m/z int. rel.int.
  26 1.1 11
  27 11.07 111
  29 1.3 13
  38 1.22 12
  39 7.57 76
  41 8.25 83
  43 5.45 55
  45 7.53 75
  47 1.8 18
  50 1.55 16
  51 3.84 38
  52 2.36 24
  53 14.3 143
  58 1.66 17
  59 3.92 39
  81 99.99 999
  82 6.4 64
  85 2.16 22
  113 1.57 16
  156 18.85 189
  157 1.82 18
//