MassBank Record: MSBNK-Waters-WA000418
ACCESSION: MSBNK-Waters-WA000418
RECORD_TITLE: Didanosine; LC-ESI-Q; MS; POS; 75 V
DATE: 2016.01.19 (Created 2007.08.01, modified 2011.05.06)
AUTHORS: Nihon Waters K.K.
LICENSE: CC BY-NC
CH$NAME: Didanosine
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C10H12N4O3
CH$EXACT_MASS: 236.09094
CH$SMILES: OCC(C3)OC(C3)n(c2)c(n1)c(n2)c(O)nc1
CH$IUPAC: InChI=1S/C10H12N4O3/c15-3-6-1-2-7(17-6)14-5-13-8-9(14)11-4-12-10(8)16/h4-7,15H,1-3H2,(H,11,12,16)/t6-,7+/m0/s1
CH$LINK: CAS
69655-05-6
CH$LINK: INCHIKEY
BXZVVICBKDXVGW-NKWVEPMBSA-N
CH$LINK: COMPTOX
DTXSID6022927
AC$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$CHROMATOGRAPHY: RETENTION_TIME 2.670 min
AC$CHROMATOGRAPHY: COLUMN_NAME 2.1 mm id - 3. 5{mu}m XTerra C18MS
AC$CHROMATOGRAPHY: COLUMN_TEMPERATURE 35 C
AC$CHROMATOGRAPHY: SAMPLING_CONE 75 V
MS$DATA_PROCESSING: FIND_PEAK ignore rel.int. < 5
PK$SPLASH: splash10-000i-0900000000-6f11fae655be65397655
PK$NUM_PEAK: 12
PK$PEAK: m/z int. rel.int.
110 458 458
111 16 16
112 20 20
119 423 423
120 39 39
123 12 12
137 999 999
138 78 78
159 16 16
237 47 47
259 12 12
473 43 43
//
system version 2.2.6-SNAPSHOT