MassBank Record: MSBNK-Waters-WA001660
ACCESSION: MSBNK-Waters-WA001660
RECORD_TITLE: Dyphylline; 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$NAME: Diprophylline
CH$NAME: Dyphylline
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C10H14N4O4
CH$EXACT_MASS: 254.10150
CH$SMILES: OCC(O)Cn(c2)c(C(=O)1)c(n2)N(C)C(=O)N(C)1
CH$IUPAC: InChI=1S/C10H14N4O4/c1-12-8-7(9(17)13(2)10(12)18)14(5-11-8)3-6(16)4-15/h5-6,15-16H,3-4H2,1-2H3
CH$LINK: CAS
479-18-5
CH$LINK: INCHIKEY
KSCFJBIXMNOVSH-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID6022975
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 9.740 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$SPLASH: splash10-0a4i-0390000000-8896ce67c3c9111b6ca3
PK$NUM_PEAK: 27
PK$PEAK: m/z int. rel.int.
100 12 12
109 12 12
114 243 243
123 8 8
127 8 8
135 24 24
140 24 24
143 27 27
150 8 8
155 16 16
158 12 12
159 24 24
163 20 20
167 16 16
170 12 12
171 8 8
175 8 8
182 8 8
185 16 16
195 8 8
196 8 8
221 8 8
239 31 31
255 999 999
256 98 98
257 27 27
277 24 24
//
system version 2.2.6-SNAPSHOT