MassBank Record: KO002814



 Dyphylline; LC-ESI-QQ; MS2; CE:40 V; [M+H]+ 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: KO002814
RECORD_TITLE: Dyphylline; LC-ESI-QQ; MS2; CE:40 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 40 V
MS$FOCUSED_ION: PRECURSOR_M/Z 255 MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
PK$SPLASH: splash10-0089-3900000000-e0a54464bc16e628c820 PK$NUM_PEAK: 67 PK$PEAK: m/z int. rel.int. 42.100 94059.5 10 43.000 24752.5 3 44.900 74257.5 8 45.900 133663.5 14 56.400 39604.0 4 57.300 1435645.0 152 58.300 34653.5 4 66.100 118812.0 13 68.200 39604.0 4 69.100 549505.5 58 70.000 29703.0 3 73.500 44554.5 5 74.900 54455.5 6 77.900 113861.5 12 78.400 34653.5 4 80.300 49505.0 5 81.100 292079.5 31 82.400 59406.0 6 83.200 133663.5 14 84.200 3792083.0 402 86.100 579208.5 61 87.300 178218.0 19 91.400 29703.0 3 92.400 44554.5 5 93.300 509901.5 54 94.900 133663.5 14 95.900 1856437.5 197 98.300 34653.5 4 98.900 287129.0 30 102.000 2222774.5 236 105.000 69307.0 7 106.100 247525.0 26 107.000 1049506.0 111 108.100 579208.5 61 109.200 341584.5 36 110.300 470297.5 50 111.000 39604.0 4 112.200 84158.5 9 118.000 29703.0 3 120.200 391089.5 41 122.100 103960.5 11 124.200 9415851.0 999 125.200 460396.5 49 133.500 29703.0 3 134.000 1564358.0 166 136.000 351485.5 37 137.200 613862.0 65 141.600 54455.5 6 142.300 29703.0 3 143.400 2485151.0 264 147.200 69307.0 7 148.800 59406.0 6 150.300 69307.0 7 152.300 475248.0 50 162.200 762377.0 81 163.100 59406.0 6 165.200 14851.5 2 170.400 415842.0 44 179.900 49505.0 5 181.300 4683173.0 497 192.400 74257.5 8 193.200 341584.5 36 198.300 69307.0 7 207.300 89109.0 9 216.500 14851.5 2 219.200 128713.0 14 255.100 19802.0 2 //