MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP005133
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP005133
RECORD_TITLE: DIPHENYLDISULFIDE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: HAYASHI A, FAC. OF SCIENCE AND TECHNOLOGY, KINKI UNIV.
LICENSE: CC BY-NC-SA
CH$NAME: DIPHENYLDISULFIDE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C12H10S2
CH$EXACT_MASS: 218.02239
CH$SMILES: c(c2)ccc(c2)SSc(c1)cccc1
CH$IUPAC: InChI=1S/C12H10S2/c1-3-7-11(8-4-1)13-14-12-9-5-2-6-10-12/h1-10H
CH$LINK: CAS
882-33-7
CH$LINK: INCHIKEY
GUUVPOWQJOLRAS-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID6022131
AC$INSTRUMENT: JEOL JMS-HX-100
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: splash10-066r-8950000000-606fa4f2d89db624bc13
PK$NUM_PEAK: 56
PK$PEAK: m/z int. rel.int.
37 0.72 7
38 2.77 28
39 22.29 223
40 0.67 7
44 1.24 12
45 7.53 75
50 5.89 59
51 15.84 158
52 1.33 13
57 2.17 22
58 3 30
59 1.65 17
61 0.61 6
62 1.72 17
63 5.48 55
64 1.02 10
65 43.34 433
66 3.92 39
69 17.72 177
70 1.36 14
71 1.33 13
74 1.84 18
75 1.78 18
76 1.07 11
77 12.98 130
78 1.92 19
81 1.72 17
82 4.94 49
83 2.7 27
84 0.86 9
93 0.66 7
96 0.96 10
97 1.11 11
107 0.56 6
108 9.36 94
109 99.99 999
110 11.51 115
111 6.19 62
112 0.5 5
140 7.06 71
141 5.48 55
142 1.07 11
152 1.4 14
153 1.44 14
154 18.07 181
155 2.55 26
184 5.61 56
185 13.59 136
186 3.82 38
187 1.02 10
217 1.29 13
218 91.25 913
219 16.62 166
220 11.28 113
221 1.59 16
222 0.39 4
//
system version 2.2.6-SNAPSHOT