MassBank Record: JP002784



 5-ETHYL-5-PHENYL-HEXAHYDROPYRIMIDINE-4,6-DIONE; EI-B; MS 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: JP002784
RECORD_TITLE: 5-ETHYL-5-PHENYL-HEXAHYDROPYRIMIDINE-4,6-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$NAME: 5-ETHYL-5-PHENYL-HEXAHYDROPYRIMIDINE-4,6-DIONE CH$COMPOUND_CLASS: N/A CH$FORMULA: C12H14N2O2 CH$EXACT_MASS: 218.10553 CH$SMILES: CCC(C(=O)2)(C(=O)NCN2)c(c1)cccc1 CH$IUPAC: InChI=1S/C12H14N2O2/c1-2-12(9-6-4-3-5-7-9)10(15)13-8-14-11(12)16/h3-7H,2,8H2,1H3,(H,13,15)(H,14,16)
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: splash10-014i-8900000000-0e7a89b14902d3718a96 PK$NUM_PEAK: 131 PK$PEAK: m/z int. rel.int. 29 17.9 179 30 20.7 207 31 0.6 6 32 3.84 38 34 0.2 2 35 1.7 17 36 9.3 93 37 0.16 2 38 4.9 49 39 30.9 309 40 3.3 33 41 1.29 13 42 11.5 115 43 4.8 48 44 27.9 279 45 0.13 1 46 0.3 3 49 0.1 1 50 9.3 93 51 2.59 26 52 6.7 67 53 4.6 46 54 4.3 43 55 0.31 3 56 3.3 33 57 2.8 28 58 10.9 109 59 0.01 0 60 0.1 1 61 1.2 12 62 5.1 51 63 1.49 15 64 4.7 47 65 13 130 66 1.8 18 67 0.11 1 68 0.9 9 69 1.9 19 70 1 10 71 0.13 1 72 0.3 3 73 0.9 9 74 3.3 33 75 0.41 4 76 5.7 57 77 23.6 236 78 12.9 129 79 0.29 3 80 0.9 9 81 0.8 8 82 1.3 13 83 0.09 1 84 0.3 3 85 0.5 5 86 1.3 13 87 0.02 0 88 2.3 23 89 15.9 159 90 9.8 98 91 4.79 48 92 4.9 49 93 0.7 7 94 0.3 3 95 0.05 1 96 0.4 4 97 0.7 7 98 0.7 7 99 0.02 0 100 0.3 3 101 1.5 15 102 7.3 73 103 2.84 28 104 8.9 89 105 3.9 39 106 1.5 15 107 0.03 0 111 0.2 2 112 0.7 7 113 1.4 14 114 0.19 2 115 34.9 349 116 29.9 299 117 99.99 999 118 2.94 29 119 12.4 124 120 1.7 17 125 0.9 9 126 0.01 0 127 1.4 14 128 2.9 29 129 4.4 44 130 0.71 7 131 7.9 79 132 23.5 235 133 3.4 34 134 0.09 1 135 0.4 4 140 1.5 15 141 0.9 9 142 0.29 3 143 6 60 144 4.9 49 145 9.9 99 146 5.49 55 147 11 110 148 1.6 16 149 0.7 7 157 0.03 0 158 6.9 69 159 1 10 160 4.7 47 161 1.01 10 162 1.4 14 163 0.3 3 170 0.3 3 171 0.03 0 172 2.2 22 173 5.2 52 174 4.9 49 175 0.12 1 176 1.9 19 189 0.1 1 190 8 80 191 2.36 24 192 3.4 34 193 0.3 3 203 0.3 3 210 0.01 0 217 0.3 3 218 1.3 13 219 0.4 4 //