ACCESSION: MSBNK-Waters-WA000596
RECORD_TITLE: Zidovudine; LC-ESI-Q; MS; NEG; 30 V
DATE: 2016.01.19 (Created 2007.08.01, modified 2011.05.06)
AUTHORS: Nihon Waters K.K.
LICENSE: CC BY-NC

CH$NAME: Zidovudine
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₀H₁₃N₅O₄
CH$EXACT_MASS: 267.09675
CH$SMILES: [N-1]=[N+1]=NC(C1)C(CO)OC1N(C=2)C(=O)NC(=O)C(C)2
CH$IUPAC: InChI=1S/C10H13N5O4/c1-5-3-15(10(18)12-9(5)17)8-2-6(13-14-11)7(4-16)19-8/h3,6-8,16H,2,4H2,1H3,(H,12,17,18)/t6-,7-,8-/m1/s1
CH$LINK: CAS 30516-87-1
CH$LINK: INCHIKEY HBOMLICNUCNMMY-BWZBUEFSSA-N
CH$LINK: COMPTOX DTXSID10224710

AC$INSTRUMENT: ZQ, Waters
AC$INSTRUMENT_TYPE: LC-ESI-Q
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
AC$MASS_SPECTROMETRY: IONIZATION ESI
AC$CHROMATOGRAPHY: RETENTION_TIME 11.000 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 30 V

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

PK$SPLASH: splash10-014i-0390000000-cc5b39f0b68907057f9c
PK$NUM_PEAK: 28
PK$PEAK: m/z int. rel.int.
  109 8 8
  121 12 12
  125 12 12
  137 353 353
  138 16 16
  144 8 8
  146 8 8
  147 12 12
  155 24 24
  161 8 8
  168 8 8
  173 31 31
  176 8 8
  183 24 24
  188 8 8
  191 16 16
  195 8 8
  214 8 8
  223 345 345
  235 12 12
  247 16 16
  251 12 12
  253 8 8
  263 12 12
  266 999 999
  267 114 114
  268 31 31
  272 8 8
//