MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP005878
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP005878
RECORD_TITLE: PHENYL SULFIDE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: YAMAMOTO M, DEP. CHEMISTRY, FAC. SCIENCE, NARA WOMEN'S UNIV.
LICENSE: CC BY-NC-SA
CH$NAME: PHENYL SULFIDE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C12H10S
CH$EXACT_MASS: 186.05032
CH$SMILES: c(c2)ccc(c2)Sc(c1)cccc1
CH$IUPAC: InChI=1S/C12H10S/c1-3-7-11(8-4-1)13-12-9-5-2-6-10-12/h1-10H
CH$LINK: INCHIKEY
LTYMSROWYAPPGB-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID8044383
AC$INSTRUMENT: HITACHI RMU-6M
AC$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$SPLASH: splash10-000i-4900000000-4254f29cc7f131adacca
PK$NUM_PEAK: 46
PK$PEAK: m/z int. rel.int.
27 2.12 21
28 3.08 31
38 1.16 12
39 7.32 73
45 3.08 31
50 5.4 54
51 21.97 220
52 1.54 15
58 1.35 14
62 1.16 12
63 2.89 29
65 9.06 91
66 2.12 21
69 5.78 58
74 1.93 19
75 1.73 17
76 1.73 17
77 12.91 129
78 1.16 12
79 1.93 19
80 1.93 19
82 1.93 19
84 1.35 14
92 7.51 75
92.5 1.73 17
93 3.66 37
102 1.73 17
108 1.93 19
109 5.59 56
110 1.54 15
115 2.7 27
121 1.16 12
139 2.12 21
141 2.31 23
142 1.54 15
151 1.17 12
152 5.97 60
153 3.85 39
154 2.89 29
171 3.85 39
183 1.73 17
184 18.85 189
185 46.63 466
186 99.99 999
187 15.61 156
188 5.2 52
//