MassBank Record: JP002795



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

ACCESSION: JP002795
RECORD_TITLE: 5-BUTYL-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$NAME: 5-BUTYL-5-ETHYL-BARBITURIC ACID CH$COMPOUND_CLASS: N/A CH$FORMULA: C10H16N2O3 CH$EXACT_MASS: 212.11609 CH$SMILES: CCCCC(CC)(C(=O)1)C(=O)NC(=O)N1 CH$IUPAC: InChI=1S/C10H16N2O3/c1-3-5-6-10(4-2)7(13)11-9(15)12-8(10)14/h3-6H2,1-2H3,(H2,11,12,13,14,15)
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: splash10-0006-9600000000-eef99ddbb9fc48cf8ed4 PK$NUM_PEAK: 99 PK$PEAK: m/z int. rel.int. 25 1.6 16 26 8.2 82 27 30.2 302 28 3.5 35 29 26.8 268 30 1.6 16 31 0.4 4 32 0.02 0 36 1.8 18 37 2.1 21 38 2 20 39 0.23 2 40 5.4 54 41 43.1 431 42 7 70 43 1.52 15 44 10.4 104 45 1.5 15 49 0.9 9 50 0.18 2 51 2.8 28 52 3 30 53 9.2 92 54 0.64 6 55 45.1 451 56 9 90 57 4.8 48 58 0.08 1 59 0.4 4 63 0.8 8 64 1 10 65 0.21 2 66 1.9 19 67 5.4 54 68 3.4 34 69 0.09 1 70 4.9 49 71 1.2 12 72 0.8 8 73 0.13 1 77 1.8 18 78 0.9 9 79 2.1 21 80 0.49 5 81 2.8 28 82 2.8 28 83 11.5 115 84 0.29 3 85 3.4 34 86 0.5 5 91 1 10 92 0.08 1 93 1 10 94 2.9 29 95 2 20 96 0.22 2 97 2.6 26 98 19.4 194 99 2.4 24 107 0.08 1 108 1.8 18 109 1.4 14 110 1 10 111 0.15 2 112 6.8 68 113 1.9 19 114 1.8 18 115 0.04 0 123 1 10 124 1.1 11 125 1.1 11 126 0.54 5 127 1 10 128 1.1 11 129 0.9 9 140 0.15 2 141 99.99 999 142 23.1 231 143 2.8 28 152 0.04 0 153 1 10 154 1.2 12 155 10.1 101 156 7.45 75 157 7.6 76 158 1.8 18 166 0.8 8 167 1.27 13 168 1.9 19 169 1.9 19 170 0.4 4 171 0.05 1 184 6.4 64 185 12 120 186 1.8 18 187 0.01 0 212 0.4 4 213 1.5 15 214 0.2 2 //