MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP003543
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP003543
RECORD_TITLE: DIPHENYLDISULFIDE; 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$NAME: DIPHENYLDISULFIDE
CH$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$LINK: INCHIKEY
GUUVPOWQJOLRAS-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID6022131
AC$INSTRUMENT: HITACHI RMU-6E
AC$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$SPLASH: splash10-066r-9830000000-b8d959ffbb40a50bbd74
PK$NUM_PEAK: 37
PK$PEAK: m/z int. rel.int.
36 2 20
38 3.2 32
39 27.8 278
45 8.9 89
50 6.1 61
51 18.4 184
57 2.1 21
58 0.27 3
59 2.7 27
63 5 50
65 46.9 469
66 0.4 4
69 16.8 168
70 1.4 14
71 1.5 15
74 0.14 1
75 1.4 14
77 13.1 131
78 2.4 24
81 0.15 2
82 4.2 42
83 3.3 33
108 7.9 79
109 99.99 999
110 10.5 105
111 4.9 49
140 4.9 49
141 0.4 4
154 12.9 129
155 1.8 18
184 4.1 41
185 0.98 10
186 4.5 45
187 1.3 13
218 65 650
219 0.97 10
220 6.4 64
//
system version 2.2.6-SNAPSHOT