MassBank Record: WA002975



 Molsidomine; LC-ESI-Q; MS; POS; 75 V 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: WA002975
RECORD_TITLE: Molsidomine; LC-ESI-Q; MS; POS; 75 V
DATE: 2016.01.19 (Created 2007.08.01, modified 2011.05.06)
AUTHORS: Nihon Waters K.K.
LICENSE: Copyright 2007-2011 Nihon Waters K.K.

CH$NAME: Molsidomine CH$COMPOUND_CLASS: N/A CH$FORMULA: C9H14N4O4 CH$EXACT_MASS: 242.10150 CH$SMILES: CCOC([O-1])=Nc(o2)c[n+1](n2)N(C1)CCOC1 CH$IUPAC: InChI=1S/C9H14N4O4/c1-2-16-9(14)10-8-7-13(11-17-8)12-3-5-15-6-4-12/h7H,2-6H2,1H3 CH$LINK: CAS 25717-80-0
AC$INSTRUMENT: ZQ, Waters AC$INSTRUMENT_TYPE: LC-ESI-Q AC$CHROMATOGRAPHY: RETENTION_TIME 11.100 min AC$MASS_SPECTROMETRY: MS_TYPE MS AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$CHROMATOGRAPHY: COLUMN_NAME 2.1 mm id - 3. 5{mu}m XTerra C18MS AC$CHROMATOGRAPHY: COLUMN_TEMPERATURE 35 C AC$MASS_SPECTROMETRY: IONIZATION ESI AC$CHROMATOGRAPHY: SAMPLING_CONE 75 V
MS$DATA_PROCESSING: FIND_PEAK ignore rel.int. < 5
PK$SPLASH: splash10-0f7o-0590000000-837be5a9da051e32166a PK$NUM_PEAK: 39 PK$PEAK: m/z int. rel.int. 100 505 505 101 16 16 102 145 145 104 63 63 108 78 78 113 337 337 115 286 286 119 12 12 120 31 31 129 35 35 137 12 12 138 12 12 144 20 20 145 20 20 152 16 16 167 12 12 169 31 31 171 20 20 178 12 12 183 12 12 184 16 16 213 110 110 222 20 20 243 999 999 244 90 90 245 16 16 251 16 16 260 16 16 261 94 94 263 39 39 265 86 86 266 12 12 268 12 12 281 838 838 282 71 71 283 55 55 284 39 39 288 16 16 289 16 16 //