ACCESSION: MSBNK-Waters-WA001659
RECORD_TITLE: Dyphylline; LC-ESI-Q; MS; POS; 30 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 30 V

MS$DATA_PROCESSING: FIND_PEAK ignore rel.int. < 5

PK$SPLASH: splash10-0a4i-0690000000-8eb4de97b0c1f46fbe86
PK$NUM_PEAK: 35
PK$PEAK: m/z int. rel.int.
  103 8 8
  107 12 12
  111 24 24
  113 8 8
  114 321 321
  115 8 8
  117 8 8
  120 8 8
  128 16 16
  130 16 16
  131 8 8
  141 12 12
  143 12 12
  149 16 16
  152 8 8
  155 8 8
  156 8 8
  159 12 12
  165 8 8
  175 8 8
  181 282 282
  196 8 8
  199 16 16
  206 8 8
  207 8 8
  212 8 8
  237 27 27
  239 20 20
  255 999 999
  256 78 78
  257 16 16
  261 12 12
  277 12 12
  278 8 8
  293 12 12
//