| SpectraBase Spectrum ID |
KnLWJVrTN2D |
| Name |
Clomipramine-M (di-HO-) isomer 1 MS3_1 |
| Comments |
T: ITMS + c ESI d w Full ms3 [email protected] [email protected] [70.00-315.00] |
| Copyright |
Copyright © 2018-2025 Wiley-VCH GmbH. All Rights Reserved. |
| InChI |
InChI=1S/C17H16ClNO2/c1-2-9-19-14-7-8-16(20)17(21)13(14)6-4-11-3-5-12(18)10-15(11)19/h3,5,7-8,10H,1-2,4,6,9H2,(H-,20,21)/p+1 |
| InChIKey |
BGOAWTQOZFJILL-UHFFFAOYSA-O |
| Ion Polarity |
P |
| Ionization Type |
ESI |
| SMILES |
OC=1C=CC2=C(C1O)CCC=1C(N2CC[CH2+])=CC(=CC1)Cl |
| Sample Comments |
The MWW Reference Handbook and associated table are attached to Record #1, under the Attachments tab. Refer to these references for the sample preparation procedure and abbreviations, as well as other relevant information pertaining to this database. |
| Sample Description |
Analyte Type: Metabolite |
| Source of Spectrum |
Maurer/Wissenbach/Weber, Saarland University |
| Spectrum Type |
ms3 |
| Technique |
ITMS |
