MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP007893
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP007893
RECORD_TITLE: 6-HYDROXY-4-OXO-4H-PYRIDO(1,2-A)PYRIMIDINE-3-ACETIC 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$NAME: 6-HYDROXY-4-OXO-4H-PYRIDO(1,2-A)PYRIMIDINE-3-ACETIC ACID ETHYL ESTER
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C12H12N2O4
CH$EXACT_MASS: 248.07971
CH$SMILES: CCOC(=O)CC(=C1)C(=O)N(C(O)=2)C(C=CC2)=N1
CH$IUPAC: InChI=1S/C12H12N2O4/c1-2-18-11(16)6-8-7-13-9-4-3-5-10(15)14(9)12(8)17/h3-5,7,15H,2,6H2,1H3
CH$LINK: INCHIKEY
JXXBRIKWBBNBTE-UHFFFAOYSA-N
AC$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: splash10-0f92-5890000000-d150639827335f4069eb
PK$NUM_PEAK: 33
PK$PEAK: m/z int. rel.int.
38 4 40
39 24 240
41 2 20
42 0.2 2
43 2 20
44 4 40
52 2 20
53 0.2 2
54 3 30
55 18 180
64 2 20
65 0.8 8
66 12 120
82 7 70
92 5 50
93 0.4 4
94 18 180
95 2 20
118 7 70
119 0.6 6
120 2 20
121 10 100
146 16 160
147 1.2 12
148 6 60
174 58 580
175 70 700
176 0.8 8
202 48 480
203 21 210
204 1 10
248 99.99 999
249 13 130
//
system version 2.2.6-SNAPSHOT