XANTHURENIC ACID(59-00-7) MS
Product NameXANTHURENIC ACID
CAS59-00-7
Molecular FormulaC10H7NO4
Molecular Weight205.17
InChIInChI=1S/C10H7NO4/c12-7-3-1-2-5-8(13)4-6(10(14)15)11-9(5)7/h1-4,12H,(H,11,13)(H,14,15)
InChIKey FBZONXHGGPHHIY-UHFFFAOYSA-N
SmilesN1C2C(=CC=CC=2O)C(O)=CC=1C(O)=O
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MassMS-NW-6394 4,8-dihydroxy-2-quinolinecarboxylic acid C10H7NO4 (Mass of molecular ion: 205)
Source Temperature: 230 °C Sample Temperature: 220 °C Direct, 75 eV
16.0 1.3 17.0 2.9 18.0 11.9 26.0 3.2 27.0 3.0 28.0 7.1 29.0 2.4 36.0 1.2 37.0 3.2 38.0 4.6 39.0 8.4 40.0 1.9 41.0 1.1 42.0 1.0 43.0 1.2 44.0 17.8 45.0 3.5 49.0 1.6 50.0 10.1 51.0 17.7 51.5 1.6 52.0 10.7 52.5 1.1 53.0 8.3 54.0 1.5 55.0 1.7 61.0 2.7 62.0 5.3 63.0 9.1 64.0 4.7 65.0 4.8 65.5 5.6 66.0 2.4 66.5 2.2 68.0 4.4 74.0 2.4 75.0 6.9 76.0 24.2 77.0 15.9 78.0 7.1 79.0 4.6 79.5 2.5 80.0 2.1 87.0 2.0 88.0 2.4 89.0 1.7 90.0 1.6 91.0 2.3 92.0 4.6 93.0 1.9 102.0 5.0 103.0 21.3 104.0 23.9 105.0 11.1 106.0 2.2 114.0 2.3 115.0 1.7 116.0 1.3 118.0 1.1 119.0 11.2 120.0 1.4 121.0 1.0 130.0 6.6 131.0 47.5 132.0 12.6 133.0 19.5 134.0 1.8 158.0 6.6 159.0 100.0 160.0 16.0 161.0 24.0 162.0 2.7 173.0 2.0 186.0 1.5 187.0 23.1 188.0 3.0 204.0 1.2 205.0 79.3 206.0 9.0 207.0 1.2 219.0 1.4
in DMSO-d6
KBr disc
nujol mull
