| SpectraBase Spectrum ID |
A5O8zIZ9QTy |
| Name |
Triiodothyronine |
| CAS Registry Number |
6893-02-3 |
| Collision Energy |
35 eV |
| Copyright |
Copyright © 2012-2025 Herbert Oberacher. All Rights Reserved. |
| Exact Mass |
650.790042866 u |
| Formula |
C15H12I3NO4 |
| InChI |
InChI=1S/C15H12I3NO4/c16-9-6-8(1-2-13(9)20)23-14-10(17)3-7(4-11(14)18)5-12(19)15(21)22/h1-4,6,12,20H,5,19H2,(H,21,22)/t12-/m0/s1 |
| InChIKey |
AUYYCJSJGJYCDS-LBPRGKRZSA-N |
| Instrument Name |
QStar XL, AB Sciex |
| Ion Polarity |
P |
| Ionization Type |
ESI+ |
| Molecular Weight |
650.977 g/mol |
| Nominal Mass |
651 u |
| Precursor Ion |
[M+H]+ |
| Precursor m/z |
651.797 |
| SMILES |
N[C@](C(O)=O)(CC1=CC(I)=C(OC2=CC(I)=C(O)C=C2)C(I)=C1)[H] |
| Selected Ion Charge |
1 |
| Source of Spectrum |
Herbert Oberacher, Institute of Legal Medicine, Innsbruck/Austria |
| Spectrum Type |
ms2 |
| Synonyms |
(2S)-2-amino-3-[4-(4-hydroxy-3-iodophenoxy)-3,5-diiodophenyl]propanoic acid |
| Technique |
Q-TOF |
| Wiley ID |
MSforID_+_973.6 |
