MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP002031
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP002031
RECORD_TITLE: 5-METHOXYPYRIMIDINE; 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$NAME: 5-METHOXYPYRIMIDINE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C5H6N2O
CH$EXACT_MASS: 110.04801
CH$SMILES: COc(c1)cncn1
CH$IUPAC: InChI=1S/C5H6N2O/c1-8-5-2-6-4-7-3-5/h2-4H,1H3
CH$LINK: INCHIKEY
JIADELSANNMYFC-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID90341494
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$SPLASH: splash10-03di-8900000000-108eb68304fce860d83b
PK$NUM_PEAK: 18
PK$PEAK: m/z int. rel.int.
38 1.2 12
39 3.5 35
40 13 130
41 0.14 1
42 2.4 24
51 3.5 35
52 6.6 66
53 0.12 1
56 41.3 413
57 1.4 14
66 1.4 14
67 0.11 1
68 21.1 211
79 1.3 13
83 9.2 92
94 0.1 1
110 99.99 999
111 7.3 73
//