MassBank Record: WA002173



 Stavudine; LC-ESI-Q; MS; POS; 90 V 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: WA002173
RECORD_TITLE: Stavudine; LC-ESI-Q; MS; POS; 90 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$NAME: Stavudine CH$COMPOUND_CLASS: N/A CH$FORMULA: C10H12N2O4 CH$EXACT_MASS: 224.07971 CH$SMILES: OCC(C=2)OC(C2)N(C=1)C(=O)NC(=O)C(C)1 CH$IUPAC: InChI=1S/C10H12N2O4/c1-6-4-12(10(15)11-9(6)14)8-3-2-7(5-13)16-8/h2-4,7-8,13H,5H2,1H3,(H,11,14,15)/t7-,8+/m0/s1 CH$LINK: CAS 3056-17-5
AC$INSTRUMENT: ZQ, Waters AC$INSTRUMENT_TYPE: LC-ESI-Q AC$CHROMATOGRAPHY: RETENTION_TIME 0.000 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 90 V
MS$DATA_PROCESSING: FIND_PEAK ignore rel.int. < 5
PK$SPLASH: splash10-03fr-0910000000-dd3a7f0f831ddfe13ab2 PK$NUM_PEAK: 23 PK$PEAK: m/z int. rel.int. 109 349 349 110 999 999 111 16 16 122 24 24 123 20 20 127 881 881 128 31 31 149 55 55 150 16 16 200 31 31 208 12 12 223 27 27 225 71 71 235 20 20 242 39 39 247 184 184 248 12 12 263 94 94 264 12 12 265 20 20 449 67 67 471 55 55 487 12 12 //