MassBank Record: KO002813



 Dyphylline; LC-ESI-QQ; MS2; CE:30 V; [M+H]+ 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: KO002813
RECORD_TITLE: Dyphylline; LC-ESI-QQ; MS2; CE:30 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 30 V
MS$FOCUSED_ION: PRECURSOR_M/Z 255 MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
PK$SPLASH: splash10-001i-0910000000-65b3ffefd28585f62d32 PK$NUM_PEAK: 50 PK$PEAK: m/z int. rel.int. 38.900 29703.0 2 57.300 727723.5 37 59.300 49505.0 3 69.100 84158.5 4 74.900 34653.5 2 78.200 14851.5 1 81.400 64356.5 3 83.300 49505.0 3 84.200 1841586.0 93 86.200 995050.5 50 87.200 34653.5 2 93.300 54455.5 3 96.000 301980.5 15 97.800 59406.0 3 99.100 108911.0 6 102.100 975248.5 49 106.200 222772.5 11 106.900 405941.0 21 108.000 158416.0 8 109.200 133663.5 7 110.100 133663.5 7 111.900 44554.5 2 114.400 19802.0 1 120.200 163366.5 8 122.200 64356.5 3 123.000 44554.5 2 124.200 4069311.0 206 125.200 1301981.5 66 134.000 1094060.5 55 136.300 1049506.0 53 137.200 584159.0 30 141.400 183168.5 9 143.300 3168320.0 160 146.100 29703.0 2 149.100 59406.0 3 152.300 2128715.0 108 154.400 89109.0 5 162.200 2158418.0 109 170.200 2420794.5 123 180.300 2564359.0 130 181.200 19732693.0 999 192.300 336634.0 17 193.400 1816833.5 92 198.300 2410893.5 122 207.200 415842.0 21 211.400 69307.0 4 216.600 202970.5 10 219.300 1485150.0 75 237.200 1435645.0 73 255.300 1816833.5 92 //