MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP007911
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP007911
RECORD_TITLE: 1-ETHYL-6-METHYL-4-OXO-1,6,7,8,9,9A-HEXAHYDRO-4H-PYRIDO(1,2-A)PYRIMIDINE-3-CARBOXYLIC ACID ETHYL ESTER; 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$NAME: 1-ETHYL-6-METHYL-4-OXO-1,6,7,8,9,9A-HEXAHYDRO-4H-PYRIDO(1,2-A)PYRIMIDINE-3-CARBOXYLIC ACID ETHYL ESTER
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C14H22N2O3
CH$EXACT_MASS: 266.16304
CH$SMILES: CCOC(=O)C(=C([H])1)C(=O)N(C(C)2)C(CCC2)N(CC)1
CH$IUPAC: InChI=1S/C14H22N2O3/c1-4-15-9-11(14(18)19-5-2)13(17)16-10(3)7-6-8-12(15)16/h9-10,12H,4-8H2,1-3H3
CH$LINK: INCHIKEY
DZCPIPIKEVVNLF-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID00952611
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$SPLASH: splash10-00r2-6940000000-c0604042f1830aeb3c92
PK$NUM_PEAK: 43
PK$PEAK: m/z int. rel.int.
26 15.5 155
29 34.5 345
41 24.1 241
42 1.65 17
53 13.7 137
54 15.5 155
55 22.1 221
56 5.17 52
67 6.9 69
68 12.4 124
69 27.5 275
82 0.96 10
84 13.1 131
96 21.4 214
97 27.5 275
98 5.17 52
123 9.6 96
124 96.5 965
125 9.6 96
126 0.74 7
137 10.3 103
142 5.5 55
151 58.6 586
152 1.68 17
163 8.6 86
165 13.7 137
169 6.2 62
170 2.21 22
192 5.5 55
193 7.6 76
197 99.99 999
198 1.13 11
209 7.9 79
220 10.3 103
221 19 190
222 0.34 3
223 4.5 45
224 10 100
237 22 220
251 0.45 5
265 14.1 141
266 72.4 724
267 11.2 112
//