| SpectraBase Spectrum ID |
2cBWWDFHvPv |
| Name |
Maprotiline-M 3AC |
| Classification |
Antidepressant |
| Comments |
Structure comment: Wiggly bond = unknown position of substituent |
| Copyright |
Copyright © 2023-2024 Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
422.172938551 u |
| Formula |
C25H26O6 |
| InChI |
InChI=1S/C25H26O6/c1-15(26)29-12-6-10-25-11-9-18(19-7-4-5-8-21(19)25)20-13-23(30-16(2)27)24(14-22(20)25)31-17(3)28/h4-5,7-8,13-14,18H,6,9-12H2,1-3H3 |
| InChIKey |
XFSAGDWHFIHFEC-UHFFFAOYSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
422.477 g/mol |
| SMILES |
c12C3CCC(CCCOC(C)=O)(c4ccccc34)c1cc(c(c2)OC(C)=O)OC(C)=O |
| SPLASH |
splash10-0ikc-0019000000-3a74204abf7323c1769b |
| 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+UHYAC |
| Source of Spectrum |
H.H.Maurer, M.Meyer, K.Pfleger, A.A. Weber / University of Saarland, D-66424 Homburg Germany |
| Synonyms |
Maprotiline-M (deamino-tri-HO-) 3AC |
| Technique |
GC/MS |
| Wiley ID |
MMPW6e_355 |
