MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP006775
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP006775
RECORD_TITLE: DIPHENYLTHIOETHER; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: TAJIMA S, GUNMA COLLEGE OF TECHNOLOGY
LICENSE: CC BY-NC-SA
CH$NAME: DIPHENYLTHIOETHER
CH$NAME: DIPHENYLSULFIDE
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-7M
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-2900000000-e376ed0b074558832b61
PK$NUM_PEAK: 31
PK$PEAK: m/z int. rel.int.
27 1.37 14
39 5.82 58
45 1.96 20
50 3.99 40
51 16.99 170
63 1.96 20
65 7.19 72
66 1.7 17
69 4.51 45
74 1.37 14
77 10.78 108
79 1.44 14
92 5.29 53
93 1.96 20
102 1.31 13
108 1.63 16
109 4.25 43
110 1.31 13
115 2.35 24
139 1.63 16
141 2.09 21
152 5.88 59
153 3.33 33
154 2.29 23
171 3.92 39
183 1.83 18
184 21.7 217
185 54.64 546
186 99.99 999
187 16.21 162
188 5.16 52
//
system version 2.2.6-SNAPSHOT