MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP011295
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP011295
RECORD_TITLE: THIOBENZAMIDE; 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$NAME: THIOBENZAMIDE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C7H7NS
CH$EXACT_MASS: 137.02992
CH$SMILES: NC(=S)c(c1)cccc1
CH$IUPAC: InChI=1S/C7H7NS/c8-7(9)6-4-2-1-3-5-6/h1-5H,(H2,8,9)
CH$LINK: CAS
2227-79-4
CH$LINK: INCHIKEY
QIOZLISABUUKJY-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID8062280
AC$INSTRUMENT: HITACHI M-2500
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: splash10-0f9i-5900000000-b3b926ef69c0e81f5e20
PK$NUM_PEAK: 52
PK$PEAK: m/z int. rel.int.
18 1.6 16
27 2.15 22
28 1.76 18
32 1.29 13
37 1.82 18
38 2.84 28
39 6.1 61
44 3.46 35
45 1.7 17
49 1.6 16
50 16.13 161
51 30.82 308
52 7.55 76
60 12.57 126
61 1.17 12
62 1.7 17
63 3.21 32
64 5.13 51
65 3 30
66 1.3 13
68 1.59 16
69 3.06 31
73 1.56 16
74 7.11 71
75 6.08 61
76 12.84 128
77 78.44 784
78 18.25 183
79 1.74 17
91 2.61 26
93 1.12 11
96 1.2 12
102 1.64 16
103 20.72 207
104 54.87 549
105 59.42 594
106 4.18 42
108 2.51 25
109 4.62 46
110 2.29 23
119 1.62 16
120 1.19 12
121 60.16 602
122 7.31 73
123 1.48 15
128 2.85 29
134 1.09 11
135 65.54 655
136 17.18 172
137 99.99 999
138 10.08 101
139 4.15 42
//