| SpectraBase Spectrum ID |
Ksb4zPIKKus |
| Name |
Betaine |
| CAS Registry Number |
107-43-7 |
| Collision Energy |
40 eV |
| Copyright |
Copyright © 2012-2025 Herbert Oberacher. All Rights Reserved. |
| Exact Mass |
117.078978596 u |
| Formula |
C5H11NO2 |
| InChI |
InChI=1S/C5H11NO2/c1-6(2,3)4-5(7)8/h4H2,1-3H3 |
| InChIKey |
KWIUHFFTVRNATP-UHFFFAOYSA-N |
| Instrument Name |
QStar XL, AB Sciex |
| Ion Polarity |
P |
| Ionization Type |
ESI+ |
| Molecular Weight |
117.148 g/mol |
| Nominal Mass |
117 u |
| Precursor Ion |
[M+H]+ |
| Precursor m/z |
118.086 |
| SMILES |
C([O-])(=O)C[N+](C)(C)C |
| Selected Ion Charge |
1 |
| Source of Spectrum |
Herbert Oberacher, Institute of Legal Medicine, Innsbruck/Austria |
| Spectrum Type |
ms2 |
| Synonyms |
2-(trimethylazaniumyl)acetate |
| Technique |
Q-TOF |
| Wiley ID |
MSforID_+_100.7 |
