MassBank Record: MSBNK-Waters-WA002178
ACCESSION: MSBNK-Waters-WA002178
RECORD_TITLE: Stavudine; 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$NAME: Stavudine
CH$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 15 V
MS$DATA_PROCESSING: FIND_PEAK ignore rel.int. < 5
PK$SPLASH: splash10-004i-0930200000-76f695cf6b909593072b
PK$NUM_PEAK: 11
PK$PEAK: m/z int. rel.int.
127 999 999
128 35 35
207 20 20
225 333 333
226 31 31
247 35 35
263 20 20
351 20 20
449 239 239
450 43 43
471 31 31
//