MassBank Record: JP002797



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

ACCESSION: JP002797
RECORD_TITLE: 5-(CYCLOHEX-1-ENYL)-1,5-DIMETHYL-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$NAME: 5-(CYCLOHEX-1-ENYL)-1,5-DIMETHYL-BARBITURIC ACID CH$COMPOUND_CLASS: N/A CH$FORMULA: C12H16N2O3 CH$EXACT_MASS: 236.11609 CH$SMILES: O=C(N2)N(C)C(=O)C(C)(C(=O)2)C(C1)=CCCC1 CH$IUPAC: InChI=1S/C12H16N2O3/c1-12(8-6-4-3-5-7-8)9(15)13-11(17)14(2)10(12)16/h6H,3-5,7H2,1-2H3,(H,13,15,17)
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: splash10-00gi-9420000000-001b8f1462933b4fb9c1 PK$NUM_PEAK: 156 PK$PEAK: m/z int. rel.int. 26 7.4 74 27 28.4 284 28 46.4 464 29 0.91 9 30 2.4 24 31 1.3 13 32 1.5 15 36 0.11 1 37 1.3 13 38 2 20 39 22.9 229 40 0.62 6 41 20.9 209 42 6 60 43 6.3 63 44 0.52 5 45 1.5 15 50 4.2 42 51 10.8 108 52 0.09 1 53 13.8 138 54 4.5 45 55 7.1 71 56 0.06 1 57 7 70 58 5 50 62 1.4 14 63 0.38 4 64 2 20 65 12 120 66 6.4 64 67 1.38 14 68 2.9 29 69 1.8 18 70 2.4 24 71 0.24 2 72 1 10 73 1 10 74 1.8 18 75 0.18 2 76 1.9 19 77 21.4 214 78 8 80 79 4.14 41 80 29.5 295 81 56 560 82 5.8 58 83 0.52 5 84 1.8 18 85 1.9 19 86 1.1 11 87 0.04 0 88 1 10 89 2 20 90 1.4 14 91 1.92 19 92 4.2 42 93 14.7 147 94 4.9 49 95 0.38 4 96 2.6 26 97 1.4 14 98 3.3 33 99 0.15 2 100 2.9 29 101 1 10 102 1.4 14 103 0.29 3 104 2.1 21 105 4.8 48 106 4 40 107 0.05 1 108 12.1 121 109 2.1 21 110 2 20 111 0.01 0 112 2.8 28 113 2 20 114 1.4 14 115 0.14 1 116 1.4 14 117 2.2 22 118 2.6 26 119 0.24 2 120 2 20 121 5 50 122 4 40 123 0.79 8 124 2.1 21 125 1.4 14 126 1.4 14 127 0.12 1 128 3.6 36 129 2.4 24 130 1.4 14 131 0.14 1 132 2.4 24 133 2.2 22 134 3.1 31 135 0.04 0 136 8.1 81 137 4 40 138 1.4 14 139 0.08 1 140 1.8 18 141 2 20 142 1 10 143 0.14 1 144 1 10 145 1 10 146 2 20 147 0.45 5 148 1.7 17 149 2 20 150 3.4 34 151 0.44 4 152 1.5 15 153 1.2 12 154 0.4 4 155 2.78 28 156 8.8 88 157 29.8 298 158 2.8 28 159 0.1 1 162 1 10 163 0.8 8 164 4.8 48 165 0.32 3 166 1.2 12 167 1.1 11 176 0.4 4 177 0.12 1 178 3.8 38 179 2 20 180 1.2 12 181 0.06 1 189 1.1 11 190 1.2 12 191 1.4 14 192 0.12 1 193 3.4 34 194 1.4 14 195 0.4 4 208 0.01 0 216 0.9 9 217 1 10 218 1.1 11 219 0.12 1 220 1 10 221 99.99 999 222 13.1 131 223 0.21 2 224 1 10 236 6.1 61 237 2 20 238 0.5 5 //