N-FORMYL-DL-ALANINE(5893-10-7) MS
Product NameN-FORMYL-DL-ALANINE
CAS5893-10-7
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-5323 N-formyl-DL-alanine C4H7NO3 (Mass of molecular ion: 117)
Source Temperature: 160 °C Sample Temperature: 160 °C Direct, 75 eV
12.0 1.0 14.0 1.9 15.0 10.5 17.0 1.5 18.0 27.0 25.0 1.6 26.0 9.3 27.0 17.4 28.0 44.6 29.0 15.0 30.0 1.5 38.0 1.4 39.0 2.0 40.0 5.0 41.0 6.9 42.0 30.0 43.0 8.7 44.0 100.0 45.0 10.5 46.0 6.0 51.0 2.0 52.0 3.3 53.0 2.6 54.0 3.0 55.0 4.5 56.0 1.7 58.0 2.7 70.0 1.1 71.0 3.8 72.0 60.9 73.0 7.9 74.0 2.5 117.0 3.1
in D2O
KBr disc
nujol mull
4880 A,200 M,powder
