MassBank Record: KO002815



 Dyphylline; LC-ESI-QQ; MS2; CE:50 V; [M+H]+ 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: KO002815
RECORD_TITLE: Dyphylline; LC-ESI-QQ; MS2; CE:50 V; [M+H]+
DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10)
AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ.
LICENSE: CC BY-NC-SA
COMMENT: KEIO_ID D183

CH$NAME: Dyphylline CH$NAME: Diprophylline 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$LINK: KEGG C07819 CH$LINK: NIKKAJI J2.054K CH$LINK: PUBCHEM SID:10021
AC$INSTRUMENT: API3000, Applied Biosystems AC$INSTRUMENT_TYPE: LC-ESI-QQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 V
MS$FOCUSED_ION: PRECURSOR_M/Z 255 MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
PK$SPLASH: splash10-05gj-9700000000-b192c58457f7957424f1 PK$NUM_PEAK: 43 PK$PEAK: m/z int. rel.int. 42.300 217822.0 56 45.100 74257.5 19 46.000 212871.5 55 56.300 59406.0 15 57.300 1148516.0 296 66.200 237624.0 61 67.200 84158.5 22 69.200 1183169.5 305 73.600 24752.5 6 78.100 173267.5 45 80.100 198020.0 51 81.200 663367.0 171 83.300 178218.0 46 84.100 1836635.5 474 86.400 113861.5 29 92.100 74257.5 19 93.300 396040.0 102 94.300 94059.5 24 95.300 89109.0 23 96.300 2103962.5 543 97.000 34653.5 9 98.900 217822.0 56 101.900 460396.5 119 105.800 207921.0 54 107.400 742575.0 192 108.200 425743.0 110 109.400 262376.5 68 110.200 212871.5 55 119.900 44554.5 11 120.300 153465.5 40 121.300 59406.0 15 122.300 158416.0 41 124.000 3871291.0 999 125.100 113861.5 29 126.800 14851.5 4 134.200 272277.5 70 135.900 59406.0 15 137.000 89109.0 23 141.800 29703.0 8 143.100 346535.0 89 147.200 128713.0 33 162.400 39604.0 10 181.200 450495.5 116 //