| SpectraBase Spectrum ID |
1G788ww1Cug |
| Name |
Carphenazine |
| CAS Registry Number |
2622-30-2 |
| Collision Energy |
50 eV |
| Copyright |
Copyright © 2012-2025 Herbert Oberacher. All Rights Reserved. |
| Exact Mass |
425.213698422 u |
| Formula |
C24H31N3O2S |
| InChI |
InChI=1S/C24H31N3O2S/c1-2-22(29)19-8-9-24-21(18-19)27(20-6-3-4-7-23(20)30-24)11-5-10-25-12-14-26(15-13-25)16-17-28/h3-4,6-9,18,28H,2,5,10-17H2,1H3 |
| InChIKey |
XZSMZRXAEFNJCU-UHFFFAOYSA-N |
| Instrument Name |
QStar XL, AB Sciex |
| Ion Polarity |
P |
| Ionization Type |
ESI+ |
| Molecular Weight |
425.591 g/mol |
| Nominal Mass |
425 u |
| Precursor Ion |
[M+H]+ |
| Precursor m/z |
426.221 |
| SMILES |
OCCN1CCN(CC1)CCCN1C2=C(SC=3C1=CC=CC3)C=CC(=C2)C(=O)CC |
| Selected Ion Charge |
1 |
| Source of Spectrum |
Herbert Oberacher, Institute of Legal Medicine, Innsbruck/Austria |
| Spectrum Type |
ms2 |
| Synonyms |
1-[10-[3-[4-(2-hydroxyethyl)piperazin-1-yl]propyl]phenothiazin-2-yl]propan-1-one |
| Technique |
Q-TOF |
| Wiley ID |
MSforID_+_172.9 |
