MassBank Record: JP002048



 2-DIMETHYLAMINO-5-NITROPYRIMIDINE; EI-B; MS 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: JP002048
RECORD_TITLE: 2-DIMETHYLAMINO-5-NITROPYRIMIDINE; 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$NAME: 2-DIMETHYLAMINO-5-NITROPYRIMIDINE CH$COMPOUND_CLASS: N/A CH$FORMULA: C6H8N4O2 CH$EXACT_MASS: 168.06473 CH$SMILES: CN(C)c(n1)ncc(c1)[N+1]([O-1])=O CH$IUPAC: InChI=1S/C6H8N4O2/c1-9(2)6-7-3-5(4-8-6)10(11)12/h3-4H,1-2H3
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$SPLASH: splash10-00kf-6900000000-0cdab6a073c667cd1d89 PK$NUM_PEAK: 43 PK$PEAK: m/z int. rel.int. 38 1.1 11 39 1.5 15 40 4.3 43 41 0.48 5 42 30.3 303 43 24.8 248 44 65 650 45 0.15 2 50 2.4 24 52 9 90 53 8.3 83 54 0.28 3 55 4.3 43 68 2 20 69 13.5 135 70 10 100 71 0.15 2 72 3.9 39 77 1.8 18 79 24 240 80 1.58 16 81 2.9 29 93 8.5 85 94 2.5 25 95 0.98 10 106 1.2 12 107 45 450 108 4 40 109 0.16 2 110 1.3 13 121 28.8 288 122 5.5 55 123 0.12 1 125 4.3 43 135 4.3 43 139 55 550 140 0.43 4 152 1.3 13 153 37.1 371 154 2.5 25 167 1.53 15 168 99.99 999 169 9.5 95 //