| SpectraBase Spectrum ID |
BlfJBmYSmM1 |
| Name |
Trimethoprim |
| CAS Registry Number |
738-70-5 |
| Collision Energy |
10 eV |
| Copyright |
Copyright © 2012-2025 Herbert Oberacher. All Rights Reserved. |
| Exact Mass |
290.137890453 u |
| Formula |
C14H18N4O3 |
| InChI |
InChI=1S/C14H18N4O3/c1-19-10-5-8(6-11(20-2)12(10)21-3)4-9-7-17-14(16)18-13(9)15/h5-7H,4H2,1-3H3,(H4,15,16,17,18) |
| InChIKey |
IEDVJHCEMCRBQM-UHFFFAOYSA-N |
| Instrument Name |
QStar XL, AB Sciex |
| Ion Polarity |
P |
| Ionization Type |
ESI+ |
| Molecular Weight |
290.323 g/mol |
| Nominal Mass |
290 u |
| Precursor Ion |
[M+H]+ |
| Precursor m/z |
291.145 |
| SMILES |
NC=1N=C(C(=CN1)CC1=CC(OC)=C(OC)C(OC)=C1)N |
| Selected Ion Charge |
1 |
| Source of Spectrum |
Herbert Oberacher, Institute of Legal Medicine, Innsbruck/Austria |
| Spectrum Type |
ms2 |
| Synonyms |
5-[(3,4,5-trimethoxyphenyl)methyl]pyrimidine-2,4-diamine |
| Technique |
Q-TOF |
| Wiley ID |
MSforID_+_975.1 |
