| SpectraBase Spectrum ID |
DtVt69khc7R |
| Name |
Oxitriptan PFP |
| CAS Registry Number |
4350-09-8 |
| Classification |
Biomolecule |
| Copyright |
Copyright © 2023-2024 Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
512.043003055 u |
| Formula |
C17H10N2O5F10 |
| InChI |
InChI=1S/C17H10F10N2O5/c18-14(19,16(22,23)24)12(32)29-10(11(30)31)3-6-5-28-9-2-1-7(4-8(6)9)34-13(33)15(20,21)17(25,26)27/h1-2,4-5,10,28H,3H2,(H,29,32)(H,30,31) |
| InChIKey |
CBAQVQFJZHNHQX-UHFFFAOYSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
512.260 g/mol |
| SMILES |
c1(OC(C(F)(F)C(F)(F)F)=O)ccc2c(c1)c(c[nH]2)CC(C(=O)O)NC(C(F)(F)C(F)(F)F)=O |
| SPLASH |
splash10-0006-1591000000-84a9996db4a8c186faf0 |
| Sample Comments |
The MMPW Reference Handbook and associated Tables are attached to Record #1, under the Attachments tab. Refer to these references for an explanation of the Sample Preparation Procedure "Detected" abbreviations, as well as other relevant information pertaining to this database. |
| Source of Spectrum |
H.H.Maurer, M.Meyer, K.Pfleger, A.A. Weber / University of Saarland, D-66424 Homburg Germany |
| Synonyms |
5-Hydroxytryptophan PFP |
| Technique |
GC/MS |
| Wiley ID |
MMPW6e_10803 |
