MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP007907
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP007907
RECORD_TITLE: 6-METHYL-4-OXO-4H-PYRIDO(1,2-A)PYRIMIDINE-3-PROPIONIC 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$NAME: 6-METHYL-4-OXO-4H-PYRIDO(1,2-A)PYRIMIDINE-3-PROPIONIC ACID ETHYL ESTER
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C14H16N2O3
CH$EXACT_MASS: 260.11609
CH$SMILES: CCOC(=O)CCC(=C1)C(=O)N(C(C)=2)C(C=CC2)=N1
CH$IUPAC: InChI=1S/C14H16N2O3/c1-3-19-13(17)8-7-11-9-15-12-6-4-5-10(2)16(12)14(11)18/h4-6,9H,3,7-8H2,1-2H3
CH$LINK: INCHIKEY
QFRPXRGYTOYELI-UHFFFAOYSA-N
AC$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: splash10-0229-4930000000-e890c2a7fec7269cf574
PK$NUM_PEAK: 34
PK$PEAK: m/z int. rel.int.
39 8.9 89
41 2.4 24
51 2 20
55 0.57 6
64 3.4 34
65 25.7 257
66 5.9 59
69 0.4 4
91 4.6 46
92 55.7 557
93 14.3 143
119 0.69 7
143 9.7 97
144 2 20
145 28.6 286
146 0.26 3
157 3.1 31
158 9.7 97
159 8.6 86
160 0.5 5
172 31.4 314
173 99.99 999
174 10.9 109
185 0.23 2
186 44.3 443
187 20 200
188 2.3 23
213 0.21 2
214 15.7 157
215 20 200
216 2.1 21
219 0.2 2
260 54.3 543
261 8.9 89
//