| SpectraBase Spectrum ID |
IpSCp2FsKhi |
| Name |
Thiamine |
| CAS Registry Number |
59-43-8 |
| Collision Energy |
50 eV |
| Copyright |
Copyright © 2012-2025 Herbert Oberacher. All Rights Reserved. |
| Exact Mass |
265.112307356 u |
| Formula |
C12H17N4OS |
| InChI |
InChI=1S/C12H17N4OS/c1-8-11(3-4-17)18-7-16(8)6-10-5-14-9(2)15-12(10)13/h5,7,17H,3-4,6H2,1-2H3,(H2,13,14,15)/q+1 |
| InChIKey |
JZRWCGZRTZMZEH-UHFFFAOYSA-N |
| Instrument Name |
QStar XL, AB Sciex |
| Ion Polarity |
P |
| Ionization Type |
ESI+ |
| Molecular Weight |
265.355 g/mol |
| Nominal Mass |
265 u |
| Precursor Ion |
[M]+ |
| Precursor m/z |
265.112 |
| SMILES |
NC=1C(C[N+]2=CSC(CCO)=C2C)=CN=C(N1)C |
| Selected Ion Charge |
1 |
| Source of Spectrum |
Herbert Oberacher, Institute of Legal Medicine, Innsbruck/Austria |
| Spectrum Type |
ms2 |
| Synonyms |
2-[3-[(4-amino-2-methylpyrimidin-5-yl)methyl]-4-methyl-1,3-thiazol-3-ium-5-yl]ethanol |
| Technique |
Q-TOF |
| Wiley ID |
MSforID_+_941.10 |
