MassBank Record: MSBNK-Waters-WA000417
ACCESSION: MSBNK-Waters-WA000417
RECORD_TITLE: Didanosine; 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$NAME: Didanosine
CH$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 90 V
MS$DATA_PROCESSING: FIND_PEAK ignore rel.int. < 5
PK$SPLASH: splash10-029i-0900000000-3182ba122c88548042a8
PK$NUM_PEAK: 15
PK$PEAK: m/z int. rel.int.
110 607 607
111 20 20
112 31 31
119 556 556
120 59 59
123 20 20
128 12 12
137 999 999
138 90 90
159 35 35
160 16 16
237 110 110
259 20 20
473 74 74
495 20 20
//
system version 2.2.6-SNAPSHOT