MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP010750
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP010750
RECORD_TITLE: ASULAM; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: HASHIMOTO K, KYOTO COLLEGE OF PHARMACY
LICENSE: CC BY-NC-SA
CH$NAME: ASULAM
CH$NAME: METHYL SULFANILYCARBAMATE
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 20 eV
MS$FOCUSED_ION: ION_TYPE [M]+*
PK$SPLASH: splash10-001i-9100000000-f5e27b2a8112498ea364
PK$NUM_PEAK: 16
PK$PEAK: m/z int. rel.int.
15 14.94 149
29 23.35 234
30 4.27 43
31 99.99 999
32 76.85 769
33 1.72 17
65 4.61 46
91 1 10
92 11.59 116
108 5.83 58
109 1.99 20
156 11.79 118
198 10.84 108
199 1.1 11
230 1.41 14
231 0.19 2
//