DANSYL-L-VALINE(1098-50-6) MS
Product NameDANSYL-L-VALINE
CAS1098-50-6
Molecular FormulaC17H22N2O4S
Molecular Weight350.43
InChIInChI=1S/C17H22N2O4S/c1-11(2)16(17(20)21)18-24(22,23)15-10-6-7-12-13(15)8-5-9-14(12)19(3)4/h5-11,16,18H,1-4H3,(H,20,21)/t16-/m0/s1
InChIKey VULDIKGSZAUMHB-INIZCTEOSA-N
SmilesC(O)(=O)[C@H](C(C)C)NS(C1=C2C(C(N(C)C)=CC=C2)=CC=C1)(=O)=O
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MassMS-NW-2163 N-(5-dimethylamino-1-naphthylsulfonyl)-L-valine C17H22N2O4S (Mass of molecular ion: 350)
Source Temperature: 200 °C Sample Temperature: 140 °C Direct, 75 eV
15.0 1.0 17.0 1.5 18.0 8.0 27.0 2.8 28.0 7.0 29.0 1.4 39.0 2.5 41.0 3.7 42.0 7.8 43.0 4.9 44.0 5.1 50.0 1.0 51.0 1.2 55.0 1.3 56.0 3.7 57.0 1.2 63.0 2.2 64.0 1.8 70.0 1.6 72.0 1.3 74.0 1.8 75.0 2.1 76.0 2.1 77.0 2.9 83.5 1.4 84.5 1.3 85.0 1.2 87.0 1.0 101.0 1.6 102.0 1.2 113.0 1.3 114.0 1.8 115.0 5.1 116.0 1.0 126.0 5.4 127.0 11.5 128.0 8.2 129.0 4.4 130.0 1.9 131.0 3.5 139.0 1.1 140.0 2.0 141.0 1.8 142.0 1.4 143.0 2.1 144.0 1.5 148.0 1.8 152.0 1.2 152.5 1.0 153.0 2.2 154.0 14.3 155.0 10.7 156.0 3.2 157.0 1.9 167.0 2.8 168.0 24.0 169.0 12.8 170.0 77.0 171.0 100.0 172.0 13.7 174.0 2.4 184.0 1.4 185.0 2.3 186.0 5.5 202.0 1.8 203.0 5.7 204.0 1.1 218.0 1.3 219.0 1.3 234.0 3.8 235.0 4.5 236.0 1.0 249.0 3.4 250.0 28.9 251.0 4.4 252.0 1.7 261.0 1.7 304.0 10.7 305.0 2.8 306.0 1.1 350.0 84.6 351.0 17.3 352.0 6.2 353.0 1.0
KBr disc
nujol mull
