| SpectraBase Spectrum ID |
JrNQnLmBqGB |
| Name |
Propanidid |
| CAS Registry Number |
1421-14-3 |
| Collision Energy |
50 eV |
| Copyright |
Copyright © 2012-2025 Herbert Oberacher. All Rights Reserved. |
| Exact Mass |
337.188922968 u |
| Formula |
C18H27NO5 |
| InChI |
InChI=1S/C18H27NO5/c1-5-10-23-18(21)12-14-8-9-15(16(11-14)22-4)24-13-17(20)19(6-2)7-3/h8-9,11H,5-7,10,12-13H2,1-4H3 |
| InChIKey |
KEJXLQUPYHWCNM-UHFFFAOYSA-N |
| Instrument Name |
QStar XL, AB Sciex |
| Ion Polarity |
P |
| Ionization Type |
ESI+ |
| Molecular Weight |
337.416 g/mol |
| Nominal Mass |
337 u |
| Precursor Ion |
[M+H]+ |
| Precursor m/z |
338.196 |
| SMILES |
C(OC1=C(OC)C=C(CC(OCCC)=O)C=C1)C(=O)N(CC)CC |
| Selected Ion Charge |
1 |
| Source of Spectrum |
Herbert Oberacher, Institute of Legal Medicine, Innsbruck/Austria |
| Spectrum Type |
ms2 |
| Synonyms |
propyl 2-[4-[2-(diethylamino)-2-oxoethoxy]-3-methoxyphenyl]acetate |
| Technique |
Q-TOF |
| Wiley ID |
MSforID_+_333.10 |
