MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP009134
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
//