N-FORMYL-L-ALANINE(10512-86-4) MS
Product NameN-FORMYL-L-ALANINE
CAS10512-86-4
Molecular FormulaC4H7NO3
Molecular Weight117.1
InChIInChI=1S/C4H7NO3/c1-3(4(7)8)5-2-6/h2-3H,1H3,(H,5,6)(H,7,8)/t3-/m0/s1
InChIKey SRBATDDRZARFDZ-VKHMYHEASA-N
SmilesC(O)(=O)[C@H](C)NC=O
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MassMS-NW-5028 N-formyl-L-alanine C4H7NO3 (Mass of molecular ion: 117)
Source Temperature: 160 °C Sample Temperature: 100 °C Direct, 75 eV
15.0 7.0 18.0 23.9 26.0 2.9 27.0 9.9 28.0 28.7 29.0 9.4 30.0 1.5 40.0 2.6 41.0 4.3 42.0 19.3 43.0 5.6 44.0 83.4 45.0 7.4 46.0 4.4 55.0 2.5 56.0 1.1 58.0 1.6 71.0 2.2 72.0 100.0 73.0 8.2 74.0 3.2 102.0 1.1 117.0 8.8
in D2O
KBr disc
nujol mull
