ACCESSION: MSBNK-Waters-WA002178
RECORD_TITLE: Stavudine; 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: CC BY-NC

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$LINK: CAS 3056-17-5
CH$LINK: INCHIKEY XNKLLVCARDGLGL-JGVFFNPUSA-N
CH$LINK: COMPTOX DTXSID1023819

AC$INSTRUMENT: ZQ, Waters
AC$INSTRUMENT_TYPE: LC-ESI-Q
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION ESI
AC$CHROMATOGRAPHY: RETENTION_TIME 0.000 min
AC$CHROMATOGRAPHY: COLUMN_NAME 2.1 mm id - 3. 5{mu}m XTerra C18MS
AC$CHROMATOGRAPHY: COLUMN_TEMPERATURE 35 C
AC$CHROMATOGRAPHY: SAMPLING_CONE 15 V

MS$DATA_PROCESSING: FIND_PEAK ignore rel.int. < 5

PK$SPLASH: splash10-004i-0930200000-76f695cf6b909593072b
PK$NUM_PEAK: 11
PK$PEAK: m/z int. rel.int.
  127 999 999
  128 35 35
  207 20 20
  225 333 333
  226 31 31
  247 35 35
  263 20 20
  351 20 20
  449 239 239
  450 43 43
  471 31 31
//