ACCESSION: MSBNK-Waters-WA000592
RECORD_TITLE: Zidovudine; LC-ESI-Q; MS; POS; 60 V, 90 V
DATE: 2016.01.19 (Created 2007.08.01, modified 2011.05.06)
AUTHORS: Nihon Waters K.K.
LICENSE: CC BY-NC

CH$NAME: Zidovudine
CH$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 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 60 V, 90 V

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

PK$SPLASH: splash10-01t9-0900000000-1970862ab1d7ea70c2d5
PK$NUM_PEAK: 31
PK$PEAK: m/z int. rel.int.
  101 20 20
  104 8 8
  108 24 24
  109 231 231
  110 576 576
  111 12 12
  113 51 51
  115 12 12
  117 8 8
  118 12 12
  121 8 8
  122 16 16
  123 27 27
  127 999 999
  128 20 20
  143 8 8
  144 12 12
  152 8 8
  154 8 8
  162 24 24
  165 8 8
  168 16 16
  180 27 27
  194 8 8
  203 8 8
  234 8 8
  268 63 63
  269 8 8
  290 59 59
  306 94 94
  307 8 8
//