MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP002044
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP002044
RECORD_TITLE: 5-ACETYL-1,2-DIHYDRO-4,6-DIHYDROXYPYRIMIDINE; 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$NAME: 5-ACETYL-1,2-DIHYDRO-4,6-DIHYDROXYPYRIMIDINE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C6H8N2O3
CH$EXACT_MASS: 156.05349
CH$SMILES: CC(=O)C(=C(O)1)C(O)=NCN1
CH$IUPAC: InChI=1S/C6H8N2O3/c1-3(9)4-5(10)7-2-8-6(4)11/h7,10H,2H2,1H3,(H,8,11)
CH$LINK: INCHIKEY
SHGXAQVFSPSKPP-UHFFFAOYSA-N
AC$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: splash10-0a4i-6900000000-18d54300517cd2c7c579
PK$NUM_PEAK: 33
PK$PEAK: m/z int. rel.int.
41 1.8 18
42 6.3 63
43 53.4 534
44 1.13 11
45 13.4 134
46 1.6 16
53 1.2 12
55 0.24 2
56 4.7 47
60 2.6 26
66 1.2 12
67 0.12 1
68 3 30
69 19.7 197
71 10.1 101
73 0.13 1
83 1.3 13
84 3.9 39
85 10.8 108
86 0.31 3
99 13.8 138
111 2.6 26
112 2.2 22
126 0.2 2
127 1.8 18
128 3.9 39
138 3.9 39
139 0.82 8
141 7.9 79
154 3.6 36
155 73.9 739
156 99.99 999
157 6.5 65
//