ACCESSION: MSBNK-Waters-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: 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 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
//