MassBank Record: JP002808



 3,7-DIHYDRO-3,7-DIMETHYL-1H-PURINE-2,6-DIONE; EI-B; MS 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: JP002808
RECORD_TITLE: 3,7-DIHYDRO-3,7-DIMETHYL-1H-PURINE-2,6-DIONE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: SASAKI S, TOYOHASHI UNIV. OF TECH.
LICENSE: CC BY-NC-SA

CH$NAME: 3,7-DIHYDRO-3,7-DIMETHYL-1H-PURINE-2,6-DIONE CH$COMPOUND_CLASS: N/A CH$FORMULA: C7H8N4O2 CH$EXACT_MASS: 180.06473 CH$SMILES: O=C(N1)N(C)c(n2)c(n(C)c2)C(=O)1 CH$IUPAC: InChI=1S/C7H8N4O2/c1-10-3-8-5-4(10)6(12)9-7(13)11(5)2/h3H,1-2H3,(H,9,12,13)
AC$INSTRUMENT: Unknown AC$INSTRUMENT_TYPE: EI-B AC$MASS_SPECTROMETRY: MS_TYPE MS AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
MS$FOCUSED_ION: ION_TYPE [M]+*
PK$SPLASH: splash10-001i-6900000000-7d44855bbf11e559d96e PK$NUM_PEAK: 66 PK$PEAK: m/z int. rel.int. 45 0.4 4 46 0.2 2 47 0.5 5 48 0.1 1 49 0.1 1 50 0.2 2 51 1 10 52 0.24 2 53 2.9 29 54 2.6 26 55 23.7 237 56 0.14 1 57 0.2 2 58 0.1 1 64 0.2 2 65 0.14 1 66 3 30 67 21.9 219 68 3.2 32 69 0.14 1 70 6 60 71 1.2 12 72 0.4 4 73 0.01 0 78 0.2 2 79 1 10 80 2.9 29 81 0.32 3 82 20.1 201 83 1.4 14 84 0.2 2 85 0.01 0 93 0.4 4 94 2.8 28 95 1 10 96 0.04 0 106 0.4 4 107 1 10 108 6.7 67 109 2.52 25 110 3.2 32 111 1.5 15 112 0.8 8 121 0.01 0 122 0.4 4 123 4.2 42 124 1.4 14 125 0.02 0 126 0.1 1 133 0.2 2 134 1 10 136 0.42 4 137 9 90 138 1 10 139 0.4 4 154 0.01 0 155 0.5 5 156 0.4 4 157 0.1 1 178 0.01 0 179 4 40 180 99.99 999 181 8.1 81 182 0.21 2 183 0.4 4 184 0.2 2 //