MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP006289
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP006289
RECORD_TITLE: SULFOMETHOXAZOLE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: MASS SPECTROSCOPY SOC. OF JAPAN (MSSJ)
LICENSE: CC BY-NC-SA
CH$NAME: SULFOMETHOXAZOLE
CH$NAME: 4-AMINO-N'-(5-METHYL-3-ISOXAZOLYL)-BENZENESULFONAMIDE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C10H11N3O3S
CH$EXACT_MASS: 253.05211
CH$SMILES: Nc(c2)ccc(c2)S(=O)(=O)Nc(n1)cc(C)o1
CH$IUPAC: InChI=1S/C10H11N3O3S/c1-7-6-10(12-16-7)13-17(14,15)9-4-2-8(11)3-5-9/h2-6H,11H2,1H3,(H,12,13)
CH$LINK: INCHIKEY
JLKIGFTWXXRPMT-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID8026064
AC$INSTRUMENT: HITACHI M-80
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: splash10-05mo-8900000000-8a6ba1e89f89f5cb1e3c
PK$NUM_PEAK: 62
PK$PEAK: m/z int. rel.int.
15 0.99 10
27 1.37 14
28 5.75 58
30 0.9 9
39 10.65 107
40 1.65 17
41 5.59 56
42 2.53 25
43 10.97 110
52 3.9 39
53 2.43 24
54 2.02 20
55 1.75 18
63 2.4 24
64 4.72 47
65 48.36 484
66 8.39 84
67 5.12 51
68 2.04 20
69 1.49 15
78 0.87 9
79 3.03 30
80 6.1 61
81 0.62 6
83 0.91 9
90 1.36 14
91 5.88 59
92 99.99 999
93 10.18 102
97 0.91 9
98 1.1 11
105 1.96 20
106 8.74 87
107 5.21 52
108 54.39 544
109 4.38 44
118 3.46 35
119 33.35 334
120 3.09 31
123 0.79 8
124 0.68 7
140 9.59 96
141 0.85 9
142 0.52 5
145 0.63 6
146 2.41 24
147 2.82 28
156 49.74 497
157 5.13 51
158 2.68 27
160 1.53 15
162 35.32 353
163 3.85 39
174 19.25 193
175 2.1 21
188 4.75 48
189 11.39 114
190 1.39 14
191 0.55 6
253 11.69 117
254 2.81 28
255 1.96 20
//