MassBank Record: MSBNK-Waters-WA002173
ACCESSION: MSBNK-Waters-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
123 20 20
127 881 881
128 31 31
149 55 55
150 16 16
200 31 31
208 12 12
223 27 27
225 71 71
235 20 20
242 39 39
247 184 184
248 12 12
263 94 94
264 12 12
265 20 20
449 67 67
471 55 55
487 12 12
//
system version 2.2.8-SNAPSHOT