| SpectraBase Spectrum ID |
HwCtfYztD28 |
| Name |
Dexpanthenol |
| CAS Registry Number |
81-13-0 |
| Collision Energy |
30 eV |
| Copyright |
Copyright © 2012-2025 Herbert Oberacher. All Rights Reserved. |
| Exact Mass |
205.131408092 u |
| Formula |
C9H19NO4 |
| InChI |
InChI=1S/C9H19NO4/c1-9(2,6-12)7(13)8(14)10-4-3-5-11/h7,11-13H,3-6H2,1-2H3,(H,10,14) |
| InChIKey |
SNPLKNRPJHDVJA-UHFFFAOYSA-N |
| Instrument Name |
QStar XL, AB Sciex |
| Ion Polarity |
P |
| Ionization Type |
ESI+ |
| Molecular Weight |
205.254 g/mol |
| Nominal Mass |
205 u |
| Precursor Ion |
[M+H]+ |
| Precursor m/z |
206.139 |
| SMILES |
OC(C(=O)NCCCO)C(CO)(C)C |
| Selected Ion Charge |
1 |
| Source of Spectrum |
Herbert Oberacher, Institute of Legal Medicine, Innsbruck/Austria |
| Spectrum Type |
ms2 |
| Synonyms |
2,4-dihydroxy-N-(3-hydroxypropyl)-3,3-dimethylbutanamide |
| Technique |
Q-TOF |
| Wiley ID |
MSforID_+_699.19 |
