BETA-(2-THIENYL)-DL-ALANINE(2021-58-1) MS
Product NameBETA-(2-THIENYL)-DL-ALANINE
CAS2021-58-1
Molecular FormulaC7H9NO2S
Molecular Weight171.22
InChIInChI=1S/C7H9NO2S/c8-6(7(9)10)4-5-2-1-3-11-5/h1-3,6H,4,8H2,(H,9,10)
InChIKey WTOFYLAWDLQMBZ-UHFFFAOYSA-N
SmilesC1(SC=CC=1)CC(N)C(=O)O
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MassMS-NW-7139 3-(2-thienyl)-DL-alanine C7H9NO2S (Mass of molecular ion: 171)
Source Temperature: 210 °C Sample Temperature: 170 °C Direct, 75 eV
17.0 2.1 18.0 9.1 27.0 2.6 28.0 16.5 29.0 1.5 30.0 1.8 38.0 1.7 39.0 6.5 41.0 1.5 42.0 2.2 43.0 3.1 44.0 1.4 45.0 12.9 46.0 4.8 47.0 1.2 50.0 1.4 51.0 2.2 52.0 1.0 53.0 8.6 54.0 1.0 57.0 1.2 58.0 2.5 59.0 1.0 62.5 1.8 63.0 4.0 65.0 5.4 66.0 1.3 69.0 2.8 70.0 1.1 71.0 1.6 74.0 30.4 75.0 1.2 80.0 2.0 84.0 1.3 93.0 2.6 97.0 100.0 98.0 36.8 99.0 10.4 100.0 2.0 108.0 1.0 109.0 1.4 110.0 1.6 124.0 1.1 125.0 2.9 126.0 6.0 135.0 1.2 154.0 1.0 171.0 7.5
KBr disc
nujol mull
