| SpectraBase Spectrum ID |
8FqFxzRZfIz |
| Name |
Diltiazem |
| CAS Registry Number |
42399-41-7 |
| Collision Energy |
5 eV |
| Copyright |
Copyright © 2012-2025 Herbert Oberacher. All Rights Reserved. |
| Exact Mass |
414.161328495 u |
| Formula |
C22H26N2O4S |
| InChI |
InChI=1S/C22H26N2O4S/c1-15(25)28-20-21(16-9-11-17(27-4)12-10-16)29-19-8-6-5-7-18(19)24(22(20)26)14-13-23(2)3/h5-12,20-21H,13-14H2,1-4H3/t20-,21+/m1/s1 |
| InChIKey |
HSUGRBWQSSZJOP-RTWAWAEBSA-N |
| Instrument Name |
QStar XL, AB Sciex |
| Ion Polarity |
P |
| Ionization Type |
ESI+ |
| Molecular Weight |
414.520 g/mol |
| Nominal Mass |
414 u |
| Precursor Ion |
[M+H]+ |
| Precursor m/z |
415.169 |
| SMILES |
[C@@]1(SC=2C(N(C([C@@]1(OC(=O)C)[H])=O)CCN(C)C)=CC=CC2)(C1=CC=C(OC)C=C1)[H] |
| Selected Ion Charge |
1 |
| Source of Spectrum |
Herbert Oberacher, Institute of Legal Medicine, Innsbruck/Austria |
| Spectrum Type |
ms2 |
| Synonyms |
[(2S,3S)-5-[2-(dimethylamino)ethyl]-2-(4-methoxyphenyl)-4-oxo-2,3-dihydro-1,5-benzothiazepin-3-yl] acetate |
| Technique |
Q-TOF |
| Wiley ID |
MSforID_+_292.9 |
