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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)

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: 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
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  127 881 881
  128 31 31
  149 55 55
  150 16 16
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  225 71 71
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  247 184 184
  248 12 12
  263 94 94
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  265 20 20
  449 67 67
  471 55 55
  487 12 12
//

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