L-Abrine(526-31-8) IR1
Molecular FormulaC12H14N2O2
Molecular Weight218.25
InChIInChI=1S/C12H14N2O2/c1-13-11(12(15)16)6-8-7-14-10-5-3-2-4-9(8)10/h2-5,7,11,13-14H,6H2,1H3,(H,15,16)/t11-/m0/s1
InChIKey CZCIKBSVHDNIDH-NSHDSACASA-N
SmilesC(O)(=O)[C@H](CC1C2=C(C=CC=C2)NC=1)NC
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MassMS-KW-0594 N-methyl-L-tryptophan C12H14N2O2 (Mass of molecular ion: 218)
Source Temperature: 200 °C Sample Temperature: 190 °C Direct, 75 eV
18.0 1.3 28.0 1.7 42.0 4.8 44.0 2.6 51.0 1.3 77.0 5.3 86.0 1.2 86.5 1.8 88.0 2.1 89.0 1.1 102.0 2.4 103.0 4.9 115.0 1.4 117.0 1.9 128.0 2.0 129.0 3.6 130.0 100.0 131.0 19.8 132.0 2.8 143.0 1.3 155.0 1.1 170.0 2.2 171.0 1.2 172.0 5.6 173.0 1.6 218.0 2.8
KBr disk
Nujol
