MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP009168
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP009168
RECORD_TITLE: DIFURFURYL 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$NAME: DIFURFURYL SULFIDE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C10H10O2S
CH$EXACT_MASS: 194.04015
CH$SMILES: c(c2)cc(o2)CSCc(c1)occ1
CH$IUPAC: InChI=1S/C10H10O2S/c1-3-9(11-5-1)7-13-8-10-4-2-6-12-10/h1-6H,7-8H2
CH$LINK: INCHIKEY
UYLKDZXJEKFFHJ-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID3065580
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$SPLASH: splash10-001i-9100000000-ee8816bbffcfcc47f2dd
PK$NUM_PEAK: 23
PK$PEAK: m/z int. rel.int.
26 1.15 12
27 13.36 134
29 1.75 18
38 1.35 14
39 5.73 57
41 1.93 19
45 14.35 144
50 3.39 34
51 6.67 67
52 4.53 45
53 26.3 263
54 1.14 11
58 1.61 16
59 1.74 17
69 1.72 17
81 99.99 999
82 9.05 91
85 6.45 65
112 1.71 17
113 13.47 135
126 5.62 56
194 12.22 122
195 1.19 12
//