MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP007890
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP007890
RECORD_TITLE: 6,8-DIMETHYL-4-OXO-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$NAME: 6,8-DIMETHYL-4-OXO-4H-PYRIDO(1,2-A)PYRIMIDINE-3-CARBOXYLIC ACID ETHYL ESTER
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C13H14N2O3
CH$EXACT_MASS: 246.10044
CH$SMILES: CCOC(=O)C(=C1)C(=O)N(C(C)=2)C(C=C(C)C2)=N1
CH$IUPAC: InChI=1S/C13H14N2O3/c1-4-18-13(17)10-7-14-11-6-8(2)5-9(3)15(11)12(10)16/h5-7H,4H2,1-3H3
CH$LINK: INCHIKEY
YJTMOGMHROYTOO-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID20344751
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$SPLASH: splash10-0fk9-2940000000-4331aa489b678e1a9765
PK$NUM_PEAK: 38
PK$PEAK: m/z int. rel.int.
39 3.5 35
41 1.9 19
51 1.9 19
52 0.16 2
53 4.1 41
65 2.7 27
66 1.9 19
69 0.11 1
77 9.5 95
78 3.2 32
79 10.8 108
80 0.14 1
86.5 1.1 11
91 1.9 19
93 7.8 78
100.5 0.14 1
104 2.7 27
105 3 30
106 31.1 311
107 0.7 7
117 1.1 11
133 4.6 46
143 1.4 14
144 0.32 3
145 3.5 35
146 16.2 162
147 1.9 19
157 0.11 1
161 1.1 11
172 99.99 999
173 16.2 162
174 0.27 3
200 44.6 446
201 16.2 162
202 1.9 19
217 0.11 1
246 24.3 243
247 3.2 32
//