MassBank Record: PR010148



 5,6-Dihydrouracil; GC-EI-TOF; MS; 2 TMS; BP:73 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: PR010148
RECORD_TITLE: 5,6-Dihydrouracil; GC-EI-TOF; MS; 2 TMS; BP:73
DATE: 2016.01.19 (Created 2006.12.21, modified 2011.05.06)
AUTHORS: Kusano M, Fukushima A, Plant Science Center, RIKEN.
LICENSE: CC BY-SA

CH$NAME: Dihydrouracil CH$NAME: Hydrouracil CH$NAME: 5,6-Dihydro-2,4-dihydroxypyrimidine CH$NAME: Dihydrouracile CH$NAME: 2,4(1H,3H)-Pyrimidinedione, dihydro- CH$NAME: 5,6-Dihydrouracil CH$COMPOUND_CLASS: Natural Product CH$FORMULA: C4H6N2O2 CH$EXACT_MASS: 114.04293 CH$SMILES: O=C(C1)NC(=O)NC1 CH$IUPAC: InChI=1S/C4H6N2O2/c7-3-1-2-5-4(8)6-3/h1-2H2,(H2,5,6,7,8) CH$LINK: CAS 504-07-4 CH$LINK: CHEBI 15901 CH$LINK: KEGG C00429 CH$LINK: NIKKAJI J11.667J CH$LINK: PUBCHEM 3718
AC$INSTRUMENT: Pegasus III TOF-MS system, Leco; GC 6890, Agilent Technologies AC$INSTRUMENT_TYPE: GC-EI-TOF AC$MASS_SPECTROMETRY: MS_TYPE MS AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$CHROMATOGRAPHY: RETENTION_INDEX 1134 AC$CHROMATOGRAPHY: RETENTION_TIME 292.351 sec
MS$FOCUSED_ION: BASE_PEAK 73 MS$FOCUSED_ION: DERIVATIVE_FORM C10H22N2O2Si2 MS$FOCUSED_ION: DERIVATIVE_MASS 258.12198 MS$FOCUSED_ION: DERIVATIVE_TYPE 2 TMS MS$DATA_PROCESSING: WHOLE ChromaTOF ver. 2.32 (Leco)
PK$SPLASH: splash10-00di-9700000000-4adeeb2f4f5a1111afb7 PK$NUM_PEAK: 80 PK$PEAK: m/z int. rel.int. 60 29 29 61 29 29 62 2 2 63 1 1 65 1 1 66 27 27 67 4 4 69 1 1 70 228 228 71 29 29 72 273 273 73 999 999 74 116 116 75 132 132 76 13 13 77 16 16 78 2 2 79 15 15 80 1 1 84 4 4 85 16 16 86 123 123 87 19 19 88 33 33 89 109 109 90 11 11 91 5 5 99 7 7 100 606 606 101 61 61 102 43 43 103 79 79 104 12 12 105 10 10 106 1 1 113 2 2 114 2 2 115 26 26 116 11 11 117 20 20 118 8 8 119 15 15 120 2 2 121 1 1 130 8 8 131 43 43 132 19 19 133 172 172 134 26 26 135 13 13 136 1 1 144 3 3 145 1 1 146 54 54 147 441 441 148 74 74 149 36 36 150 3 3 158 2 2 160 29 29 161 5 5 162 13 13 163 7 7 164 1 1 174 13 13 175 2 2 176 1 1 188 1 1 190 22 22 191 1 1 192 1 1 205 14 14 206 3 3 207 1 1 220 49 49 221 10 10 222 4 4 235 39 39 236 8 8 237 3 3 //