ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP009160
RECORD_TITLE: FURFURYL MERCAPTAN; 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$NAME: FURFURYL MERCAPTAN
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₅H₆OS
CH$EXACT_MASS: 114.01394
CH$SMILES: SCc(c1)occ1
CH$IUPAC: InChI=1S/C5H6OS/c7-4-5-2-1-3-6-5/h1-3,7H,4H2
CH$LINK: INCHIKEY ZFFTZDQKIXPDAF-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID7052654

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$SPLASH: splash10-0ue9-9100000000-01c988ea4c8eef60d16c
PK$NUM_PEAK: 29
PK$PEAK: m/z int. rel.int.
  26 4.81 48
  27 22.08 221
  29 6.67 67
  32 1.15 12
  33 4.4 44
  37 3.84 38
  38 6.45 65
  39 11.35 114
  41 2.56 26
  42 2.49 25
  45 19.53 195
  46 1.95 20
  47 3.85 39
  49 2.24 22
  50 11.82 118
  51 17.78 178
  52 11.59 116
  53 77.79 778
  54 4.04 40
  57 2.71 27
  58 4.14 41
  59 3.21 32
  69 2.07 21
  81 99.99 999
  82 8.42 84
  85 4.14 41
  114 38.14 381
  115 2.34 23
  116 1.46 15
//