MassBank Record: JP002049



 5-TERT-BUTYL-1,2,3,4-TETRAHYDROPYRIMIDINE-2,4-DIONE; EI-B; MS 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: JP002049
RECORD_TITLE: 5-TERT-BUTYL-1,2,3,4-TETRAHYDROPYRIMIDINE-2,4-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$NAME: 5-TERT-BUTYL-1,2,3,4-TETRAHYDROPYRIMIDINE-2,4-DIONE CH$NAME: 5-TERT-BUTYLURACIL CH$COMPOUND_CLASS: N/A CH$FORMULA: C8H12N2O2 CH$EXACT_MASS: 168.08988 CH$SMILES: O=C(N1)NC(=O)C(=C1)C(C)(C)C CH$IUPAC: InChI=1S/C8H12N2O2/c1-8(2,3)5-4-9-7(12)10-6(5)11/h4H,1-3H3,(H2,9,10,11,12)
AC$INSTRUMENT: MS-902 AC$INSTRUMENT_TYPE: EI-B AC$MASS_SPECTROMETRY: MS_TYPE MS AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION_ENERGY 70 eV
MS$FOCUSED_ION: ION_TYPE [M]+*
PK$SPLASH: splash10-0w29-5900000000-ddc9b28d37f60974fa83 PK$NUM_PEAK: 45 PK$PEAK: m/z int. rel.int. 38 1.4 14 39 12.1 121 40 1.6 16 41 1.23 12 42 10.4 104 43 3.2 32 44 2.9 29 50 0.11 1 51 2.4 24 52 1.3 13 53 5.5 55 54 0.15 2 55 9.3 93 56 1.4 14 57 3.6 36 65 0.29 3 66 2.5 25 67 6.3 63 68 22.1 221 69 0.43 4 70 2.6 26 71 1.3 13 76 1.6 16 76.5 0.27 3 77 1.1 11 79 1.1 11 80 5.9 59 81 0.36 4 82 15.4 154 83 3.9 39 92 12.5 125 96 0.11 1 97 1 10 110 58 580 111 4.8 48 125 1.13 11 126 22.7 227 127 1.5 15 149 1.1 11 151 0.12 1 153 99.99 999 154 9.3 93 167 1.3 13 168 3.13 31 169 3.2 32 //