MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP009160
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
//