PURPURIN(81-54-9) MS
Molecular FormulaC14H8O5
Molecular Weight256.21
InChIInChI=1S/C14H8O5/c15-8-5-9(16)14(19)11-10(8)12(17)6-3-1-2-4-7(6)13(11)18/h1-5,15-16,19H
InChIKey BBNQQADTFFCFGB-UHFFFAOYSA-N
SmilesC1(O)=C2C(C(=O)C3=C(C2=O)C=CC=C3)=C(O)C=C1O
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MassMS-NW-6518 1,2,4-trihydroxyanthraquinone C14H8O5 (Mass of molecular ion: 256)
Source Temperature: 180 °C Sample Temperature: 150 °C Direct, 75 eV
18.0 3.9 28.0 1.7 29.0 1.1 38.0 1.3 39.0 3.2 42.0 1.2 50.0 5.2 51.0 5.4 52.0 1.1 53.0 4.3 62.0 1.8 63.0 5.2 64.0 1.3 65.0 1.4 66.0 2.4 67.0 1.0 69.0 4.7 71.0 1.0 72.0 1.0 74.0 4.4 75.0 6.7 76.0 6.5 77.0 8.4 78.0 1.3 79.0 1.2 86.0 1.8 87.0 1.8 88.0 1.1 89.0 2.1 91.0 1.2 98.0 1.2 99.0 1.6 100.0 3.5 101.0 5.0 102.0 10.8 103.0 2.7 104.0 2.5 105.0 7.3 113.0 1.6 114.0 2.5 115.0 8.8 116.0 2.6 122.0 1.3 125.0 1.9 126.0 10.5 127.0 2.6 128.0 3.1 129.0 2.7 130.0 9.0 131.0 3.6 142.0 1.3 143.0 1.6 144.0 1.5 153.0 1.0 154.0 2.3 155.0 1.0 157.0 1.3 158.0 3.2 171.0 2.2 172.0 1.4 182.0 2.9 183.0 1.0 186.0 3.6 199.0 1.9 200.0 1.5 227.0 2.5 228.0 37.7 229.0 5.7 240.0 2.2 255.0 1.7 256.0 100.0 257.0 15.6 258.0 2.2
KBr disc
nujol mull
