ACCESSION: MSBNK-Waters-WA000595
RECORD_TITLE: Zidovudine; 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$NAME: Zidovudine
CH$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 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 15 V

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

PK$SPLASH: splash10-016r-0791020000-fc61dee1335d316b8123
PK$NUM_PEAK: 30
PK$PEAK: m/z int. rel.int.
  100 16 16
  114 24 24
  123 8 8
  127 827 827
  128 20 20
  142 12 12
  168 24 24
  172 8 8
  210 8 8
  254 51 51
  258 8 8
  268 999 999
  269 43 43
  270 8 8
  279 8 8
  285 31 31
  290 12 12
  292 12 12
  306 90 90
  338 16 16
  361 12 12
  364 12 12
  366 16 16
  380 31 31
  382 12 12
  432 16 16
  476 39 39
  535 282 282
  536 47 47
  557 24 24
//