| SpectraBase Spectrum ID |
AQbLuyS8hLQ |
| Name |
Skatole-M (HO-) @ |
| CAS Registry Number |
1125-31-1 |
| Classification |
Biomolecule |
| Comments |
Structure comment: Wiggly bond = unknown position of substituent |
| Copyright |
Copyright © 2023-2024 Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
147.068413913 u |
| Formula |
C9H9NO |
| InChI |
InChI=1S/C9H9NO/c1-6-5-10-9-7(6)3-2-4-8(9)11/h2-5,10-11H,1H3 |
| InChIKey |
AIMWCCSARFYZCK-UHFFFAOYSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
147.177 g/mol |
| SMILES |
c1c2c(c(cc1)O)[nH]cc2C |
| SPLASH |
splash10-0002-6900000000-19b64a36c74d170b8a83 |
| 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. |
| Sample Preparation Procedure |
Detected: U |
| Source of Spectrum |
H.H.Maurer, M.Meyer, K.Pfleger, A.A. Weber / University of Saarland, D-66424 Homburg Germany |
| Synonyms |
Tryptophan-M (HO-skatole) |
| Technique |
GC/MS |
| Wiley ID |
MMPW6e_819 |
