Uramil-N,N-diacetic acid(13055-06-6) MS
Product NameUramil-N,N-diacetic acid
CAS13055-06-6
Molecular FormulaC8H9N3O7
Molecular Weight259.17
InChIInChI=1S/C8H9N3O7/c12-3(13)1-11(2-4(14)15)5-6(16)9-8(18)10-7(5)17/h5H,1-2H2,(H,12,13)(H,14,15)(H2,9,10,16,17,18)
InChIKey QDHGQJQZPJPKJK-UHFFFAOYSA-N
SmilesC(O)(=O)CN(CC(O)=O)C1C(=O)NC(=O)NC1=O
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MassMS-NW-2027 ((2,4,6-trioxohexahydro-5-pyrimidinyl)imino)diacetic acid C8H9N3O7 (H2O) (Mass of molecular ion: 259)
Source Temperature: 200 °C Sample Temperature: 260 °C Direct, 75 eV
12.0 2.5 14.0 1.0 15.0 4.9 16.0 5.4 17.0 12.3 18.0 59.6 22.0 1.3 26.0 3.2 27.0 6.3 28.0 62.6 29.0 6.9 30.0 5.8 31.0 1.4 32.0 1.5 36.0 1.3 39.0 1.8 40.0 3.0 41.0 6.2 42.0 14.5 43.0 33.0 44.0 100.0 45.0 2.0 53.0 1.1 54.0 4.0 55.0 3.9 56.0 6.9 57.0 3.2 58.0 1.5 67.0 1.0 68.0 2.1 69.0 1.6 70.0 2.4 71.0 1.5 72.0 1.0 83.0 1.2 84.0 1.1 85.0 1.9 98.0 1.3 99.0 1.7 100.0 1.0 112.0 1.2 113.0 1.0 114.0 4.9 126.0 1.9 128.0 2.7 140.0 2.9 142.0 2.6 155.0 1.2 156.0 1.7 169.0 1.8
in DMSO-d6
KBr disc
nujol mull
