| SpectraBase Spectrum ID |
AAA1pPXjeq |
| Name |
Ceftriaxone MS3_1 |
| Comments |
T: ITMS + c ESI d w Full ms3 [email protected] [email protected] [95.00-410.00] |
| Copyright |
Copyright © 2018-2025 Wiley-VCH GmbH. All Rights Reserved. |
| InChI |
InChI=1S/C14H13N5O5S2/c1-5-3-25-12-8(11(21)19(12)9(5)13(22)23)17-10(20)7(18-24-2)6-4-26-14(15)16-6/h4,8,12H,1,3H2,2H3,(H3-,15,16,17,20,22,23)/p+1/b18-7- |
| InChIKey |
APPGJQNJLMLVME-WSVATBPTSA-O |
| Ion Polarity |
P |
| Ionization Type |
ESI |
| SMILES |
OC(C1=C(CSC2C(C(N12)=O)NC(\C(C=1N=C(SC1)N)=N\OC)=O)[CH2+])=O |
| 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: Parent |
| Source of Spectrum |
Maurer/Wissenbach/Weber, Saarland University |
| Spectrum Type |
ms3 |
| Technique |
ITMS |
