O-Phospho-DL-threonine(27530-80-9) MS
Product NameO-Phospho-DL-threonine
CAS27530-80-9
Molecular FormulaC4H10NO6P
Molecular Weight199.1
InChIInChI=1S/C4H10NO6P/c1-2(3(5)4(6)7)11-12(8,9)10/h2-3H,5H2,1H3,(H,6,7)(H2,8,9,10)/t2-,3+/m1/s1
InChIKey USRGIUJOYOXOQJ-GBXIJSLDSA-N
SmilesC(O)(=O)[C@H]([C@H](OP(O)(O)=O)C)N
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MassMS-NW-5760 O-phosphono-DL-threonine C4H10NO6P (Mass of molecular ion: 199)
Source Temperature: 190 °C Sample Temperature: 170 °C Direct, 75 eV
12.0 2.1 14.0 1.3 15.0 5.8 16.0 16.6 17.0 23.1 18.0 39.6 19.0 12.0 26.0 8.6 27.0 27.5 28.0 55.3 29.0 38.0 30.0 11.8 31.0 6.7 32.0 1.4 37.0 1.9 38.0 3.5 39.0 18.2 40.0 5.7 41.0 25.3 42.0 7.1 43.0 5.5 44.0 56.4 45.0 5.1 46.0 2.5 47.0 15.8 48.0 1.8 51.0 2.7 52.0 5.8 53.0 4.2 54.0 25.1 55.0 24.3 56.0 79.5 57.0 38.9 58.0 41.0 59.0 2.2 63.0 23.5 64.0 5.4 65.0 2.6 66.0 1.8 67.0 4.5 68.0 7.0 69.0 5.1 70.0 4.1 73.0 1.1 74.0 4.8 75.0 3.5 77.0 1.3 79.0 1.7 80.0 7.8 81.0 100.0 82.0 58.0 83.0 8.2 84.0 5.9 85.0 2.6 86.0 2.4 93.0 1.5 94.0 2.9 95.0 4.6 96.0 5.8 97.0 26.2 98.0 59.5 99.0 1.1 100.0 1.1 101.0 9.1 102.0 1.9 106.0 1.0 107.0 1.4 108.0 1.7 109.0 1.8 110.0 1.8 111.0 3.9 112.0 2.9 113.0 2.6 114.0 4.9 115.0 1.6 120.0 1.8 121.0 1.2 122.0 3.2 123.0 2.2 124.0 1.7 125.0 1.7 130.0 2.1 134.0 1.8 135.0 1.7 136.0 1.2 137.0 2.6 138.0 2.7 139.0 5.6 140.0 3.3 141.0 2.2 142.0 1.5 150.0 1.4 151.0 1.5 152.0 1.0 159.0 1.0 165.0 1.2 166.0 8.7 167.0 3.2 168.0 1.8 169.0 1.5 176.0 1.1 178.0 1.2 179.0 1.6 181.0 1.1 204.0 1.0 222.0 1.3 224.0 2.0
KBr disc
nujol mull
