| SpectraBase Spectrum ID |
3aPcuuUgepJ |
| Name |
Methylmercaptopurine, 1TMS |
| Comments |
Derivatization type: 1 TMS (mass: 238.071); CC-BY: Oliver Fiehn, University of California, Davis; MoNA-ID: FiehnLib000290; Note: The molecular formula of the structure shown is C6H6N4S - which differs from the formula reported for the mass spectrum (C9H14N4SSi) |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C9H14N4SSi |
| InChI |
InChI=1S/C9H14N4SSi/c1-14-9-7-8(10-5-11-9)13(6-12-7)15(2,3)4/h5-6H,1-4H3 |
| InChIKey |
LEPNNZWQMYYQRR-UHFFFAOYSA-N |
| Molecular Weight |
238.384 g/mol |
| SMILES |
CSc1c2c([n](cn2)[Si](C)(C)C)ncn1 |
| SPLASH |
splash10-000i-3940000000-be40fe9ee733530fc004 |
| Source of Spectrum |
FM-2019-290-0 |
| Synonyms |
6-Methylthiopurine, 1TMS
6-Methylmercaptopurine, 1TMS
6-Methyl MP, 1TMS
Thiopurine S-methylether, 1TMS
6-(Methylthio)purine, 1TMS
Maybridge4_001828, 1TMS
6-Methylsulfanyl-7H-purine, 1TMS
6-(methylthio)-9-(trimethylsilyl)-9H-purine |
| Wiley ID |
1817978 |
