MassBank Record: WA002973



 Molsidomine; LC-ESI-Q; MS; POS; 15 V 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: WA002973
RECORD_TITLE: Molsidomine; LC-ESI-Q; MS; POS; 15 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 15 V
MS$DATA_PROCESSING: FIND_PEAK ignore rel.int. < 5
PK$SPLASH: splash10-000x-0090000000-de313e33266c376a01e7 PK$NUM_PEAK: 10 PK$PEAK: m/z int. rel.int. 243 999 999 244 121 121 245 20 20 265 16 16 268 12 12 281 599 599 282 74 74 283 51 51 284 12 12 299 12 12 //