MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP006290
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP006290
RECORD_TITLE: METHYL (4-AMINOBENZENESULFONYL)CARBAMATE; 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$NAME: METHYL (4-AMINOBENZENESULFONYL)CARBAMATE
CH$NAME: ASULAM
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C8H10N2O4S
CH$EXACT_MASS: 230.03613
CH$SMILES: COC(=O)NS(=O)(=O)c(c1)ccc(N)c1
CH$IUPAC: InChI=1S/C8H10N2O4S/c1-14-8(11)10-15(12,13)7-4-2-6(9)3-5-7/h2-5H,9H2,1H3,(H,10,11)
CH$LINK: INCHIKEY
VGPYEHKOIGNJKV-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID8023890
AC$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: splash10-0a5c-9500000000-5c27b1b83dc177d76639
PK$NUM_PEAK: 65
PK$PEAK: m/z int. rel.int.
14 1.15 12
15 20.61 206
27 1.23 12
28 5.53 55
29 25.31 253
30 4.12 41
31 38.41 384
32 68.42 684
33 4.65 47
38 2.12 21
39 17.98 180
40 1.3 13
41 5.47 55
42 2.52 25
43 1.04 10
44 1.97 20
48 1.3 13
50 1.06 11
51 1.77 18
52 6.02 60
53 4.61 46
54 2.97 30
58 2.5 25
59 4.79 48
62 1.09 11
63 7.52 75
64 8.48 85
65 67.65 677
66 9.62 96
67 0.97 10
78 1.2 12
79 2.44 24
80 10.15 102
81 1.15 12
90 3.55 36
91 7.32 73
92 99.99 999
93 8.4 84
94 0.65 7
105 1.32 13
106 1.99 20
107 7.57 76
108 55.35 554
109 67.26 673
110 4.79 48
123 2.02 20
124 0.8 8
134 4.03 40
135 0.68 7
140 6.02 60
141 0.57 6
156 63.93 639
157 5.11 51
158 3.27 33
166 11.98 120
167 1.33 13
172 1.52 15
173 4.08 41
187 0.75 8
198 18.19 182
199 2.06 21
200 1 10
230 33.98 340
231 4.35 44
232 2.05 21
//
system version 2.2.8-SNAPSHOT