| Number |
mr1319 |
| Declustering Potential(DP) |
20 |
| Collision Energy(CE) |
20 |
| Observed mass(Da) |
|
| Exact mass(Da) |
|
| Accurate mass error(ppm) |
|
| Molecular formula |
|
| Ionization model |
|
| Ret. Time(min) |
1.57 |
| Precursor ions(Q1) |
90.1 |
| Product ions(Q3) |
44.0 |
| Main fragments |
44.0 |
| Compound |
L-Alanine |
| Identification |
standard |
| class |
Amino acid |
| Organism |
|
| Reference |
|
| CV(%) |
33.45 |
| H2 |
0.52 |
| ChEBI_ID |
CHEBI:57972 |
| Agricola Citation Links |
|
| ArrayExpress Database Links |
|
| BRAND Names |
|
| Beilstein Registry Numbers |
|
| BioModels Database Links |
|
| CAS Registry Numbers |
|
| COMe Database Links |
|
| ChEBI ID |
|
| ChEBI Name |
L-alanine zwitterion;; |
| Charge |
0;; |
| Chinese Abstracts Citation Links |
|
| CiteXplore Citation Links |
|
| Definition |
Zwitterionic form of L-alanine arising from transfer of a proton from the carboxy to the amino group; major species at pH 7.3.;; |
| DrugBank Database Links |
|
| Formulae |
C3H7NO2;; |
| Gmelin Registry Numbers |
362662;; |
| INN |
|
| IUPAC Names |
(2S)-2-azaniumylpropanoate;; |
| InChI |
InChI=1S/C3H7NO2/c1-2(4)3(5)6/h2H,4H2,1H3,(H,5,6)/t2-/m0/s1;; |
| InChIKey |
QNAYBMKLOCPYGJ-REOHCLBHSA-N;; |
| IntAct Database Links |
|
| IntEnz Database Links |
EC 6.3.2.8;;EC 6.3.2.49;;EC 6.1.1.7;;EC 5.1.1.1;;EC 4.4.1.16;;EC 4.1.1.64;;EC 4.1.1.12;;EC 3.7.1.3;;EC 2.8.1.9;;EC 2.8.1.7;;EC 2.6.1.99;;EC 2.6.1.96;;EC 2.6.1.84;;EC 2.6.1.77;;EC 2.6.1.71;;EC 2.6.1.66;;EC 2.6.1.58;;EC 2.6.1.56;;EC 2.6.1.51;;EC 2.6.1.47;;E |
| KEGG COMPOUND Database Links |
|
| KEGG DRUG Database Links |
|
| KEGG GLYCAN Database Links |
|
| LIPID MAPS class Database Links |
|
| LIPID MAPS instance Database Links |
|
| Last Modified |
14 Apr 2014;; |
| Mass |
89.09320;; |
| MolBase Database Links |
|
| PDBeChem Database Links |
|
| Patent Database Links |
|
| PubChem Database Links |
103158292;; |
| PubMed Central Citation Links |
|
| PubMed Citation Links |
|
| RESID Database Links |
|
| Reactome Database Links |
|
| Rhea Database Links |
RHEA:47324;;RHEA:44332;;RHEA:43892;;RHEA:43564;;RHEA:42636;;RHEA:42288;;RHEA:37331;;RHEA:37299;;RHEA:37291;;RHEA:37283;;RHEA:37275;;RHEA:37267;;RHEA:37231;;RHEA:36467;;RHEA:34535;;RHEA:33139;;RHEA:32263;;RHEA:31083;;RHEA:31071;;RHEA:30707;;RHEA:30023;;RHE |
| SABIO-RK Database Links |
|
| SMILES |
C[C@H]([NH3+])C([O-])=O;; |
| Secondary ChEBI ID |
|
| Star |
3;; |
| Synonyms |
L-alanine;;(2S)-2-ammoniopropanoate;; |
| UM-BBD compID Database Links |
|
| UniProt Database Links |
Q9ZML2;;Q9ZLN3;;Q9ZLL2;;Q9ZKQ9;;Q9ZJY5;;Q9ZE52;;Q9ZDS8;;Q9ZD60;;Q9ZCA4;;Q9ZAH5;;Q9Z7L5;;Q9Z714;;Q9Z701;;Q9Z5X5;;Q9Z408;;Q9Z1K8;;Q9Z1J3;;Q9YAB6;;Q9Y9X3;;Q9Y697;;Q9XDM3;;Q9XAD5;;Q9X827;;Q9X3P3;;Q9X1B6;;Q9X191;;Q9WY73;;Q9WVR6;;Q9VRJ1;;Q9VRA2;;Q9VLM8;;Q9VKD3; |
| ChEBI Image |
 |
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