MassBank Record: KO002812



 Dyphylline; LC-ESI-QQ; MS2; CE:20 V; [M+H]+ 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: KO002812
RECORD_TITLE: Dyphylline; LC-ESI-QQ; MS2; CE:20 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 20 V
MS$FOCUSED_ION: PRECURSOR_M/Z 255 MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
PK$SPLASH: splash10-0a4i-0390000000-b965183e8f0f1617c518 PK$NUM_PEAK: 39 PK$PEAK: m/z int. rel.int. 83.200 29703.0 1 86.200 455446.0 11 94.700 14851.5 1 96.100 39604.0 1 99.000 34653.5 1 102.400 19802.0 1 104.000 69307.0 2 104.900 69307.0 2 106.000 59406.0 1 111.300 14851.5 1 114.800 24752.5 1 124.200 613862.0 15 131.900 643565.0 15 134.200 94059.5 2 136.000 430693.5 10 136.800 24752.5 1 141.100 465347.0 11 143.400 158416.0 4 152.300 311881.5 8 162.200 356436.0 9 170.400 386139.0 9 176.300 29703.0 1 180.400 2009903.0 48 181.200 13539617.5 326 182.500 54455.5 1 192.500 118812.0 3 193.400 1039605.0 25 195.200 39604.0 1 196.200 44554.5 1 198.400 2193071.5 53 202.400 24752.5 1 205.500 24752.5 1 207.500 212871.5 5 211.300 44554.5 1 216.200 242574.5 6 219.500 2856438.5 69 237.400 10861397.0 261 237.700 128713.0 3 255.300 41500041.5 999 //