MassBank Record: JP002792



 5-CYCLOHEX-1-ENYL-5-ETHYL-BARBITURIC ACID; EI-B; MS 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: JP002792
RECORD_TITLE: 5-CYCLOHEX-1-ENYL-5-ETHYL-BARBITURIC ACID; 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$NAME: 5-CYCLOHEX-1-ENYL-5-ETHYL-BARBITURIC ACID CH$COMPOUND_CLASS: N/A CH$FORMULA: C12H16N2O3 CH$EXACT_MASS: 236.11609 CH$SMILES: CCC(C(=O)2)(C(=O)NC(=O)N2)C(C1)=CCCC1 CH$IUPAC: InChI=1S/C12H16N2O3/c1-2-12(8-6-4-3-5-7-8)9(15)13-11(17)14-10(12)16/h6H,2-5,7H2,1H3,(H2,13,14,15,16,17)
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: splash10-0a4l-9430000000-06804ad81698d15c83f7 PK$NUM_PEAK: 140 PK$PEAK: m/z int. rel.int. 48 1.6 16 49 2.8 28 50 5.3 53 51 1.38 14 52 9.3 93 53 14 140 54 7 70 55 0.34 3 56 11 110 57 24 240 58 3.3 33 59 0.28 3 60 1.7 17 61 1.1 11 62 1 10 63 0.35 4 64 2.3 23 65 11.4 114 66 6.4 64 67 7.03 70 68 12.3 123 69 18.3 183 70 14 140 71 1.51 15 72 2.3 23 73 8.4 84 74 4.3 43 75 1.73 17 76 4.3 43 77 42.3 423 78 14.9 149 79 4.83 48 80 21.3 213 81 44.4 444 82 10.8 108 83 1.23 12 84 4.3 43 85 5.3 53 86 2.1 21 87 0.19 2 89 2.4 24 90 1.3 13 91 24.5 245 92 0.64 6 93 16.8 168 94 6.7 67 95 12.3 123 96 0.33 3 97 10 100 98 8.9 89 99 3.3 33 100 0.09 1 101 0.1 1 105 4.4 44 106 1.5 15 107 0.55 6 108 2 20 109 6 60 110 1.8 18 111 0.19 2 112 1.8 18 114 0.1 1 115 0.4 4 116 0.03 0 117 1.8 18 118 1.8 18 119 3.8 38 120 0.11 1 121 8 80 122 6.3 63 123 4 40 124 0.02 0 125 3 30 126 0.3 3 127 0.4 4 128 0.24 2 129 3.8 38 130 1.2 12 131 2.3 23 132 0.02 0 133 0.3 3 134 2 20 135 4 40 136 0.03 0 137 2 20 138 0.9 9 139 1.8 18 140 0.02 0 141 42.4 424 142 5.3 53 143 4.9 49 144 0.23 2 145 4.1 41 146 5.4 54 147 14 140 148 0.04 0 149 5.5 55 150 3.1 31 151 0.1 1 156 0.03 0 157 10.5 105 158 2 20 159 0.9 9 164 0.83 8 165 2 20 167 0.9 9 181 1.1 11 182 0.01 0 183 1 10 185 4.3 43 186 1.3 13 187 0.13 1 189 1.8 18 190 3.3 33 191 3.4 34 192 0.02 0 193 2.4 24 194 1.3 13 195 1.9 19 197 0.03 0 198 0.3 3 199 0.3 3 205 2.3 23 206 0.19 2 207 99.99 999 208 15.3 153 209 3.1 31 210 0.08 1 211 4.1 41 212 1.1 11 213 1 10 215 0.41 4 216 2.8 28 217 4 40 218 5.5 55 219 0.81 8 220 4.1 41 221 1 10 235 4.1 41 236 2.1 21 //