Dataset

Alprazolam; LC-ESI-QTOF; MS2; CE: RAMP 21.8-32.7 eV; R=35000; [M+H]+

This MassBank record with Accession MSBNK-Athens_Univ-AU157006 contains the MS2 mass spectrum of Alprazolam with the InChIkey VREFGVBLTWBCJP-UHFFFAOYSA-N.

Chemical Information

InChI	InChI=1S/C17H13ClN4/c1-11-20-21-16-10-19-17(12-5-3-2-4-6-12)14-9-13(18)7-8-15(14)22(11)16/h2-9H,10H2,1H3
SMILES	Cc1nnc2n1-c3ccc(cc3C(=NC2)c4ccccc4)Cl
InChI Key	VREFGVBLTWBCJP-UHFFFAOYSA-N
Molecular Formula	C17H13ClN4
Exact Mass	308.083 g/mol

Data and Resources

AlprazolamHTML

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Related Molecule ⌄

8-chloro-1-methyl-6-phenyl-4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazepine

Metadata Information

Field	Value
DOI
License URL	https://creativecommons.org/licenses/by/4.0
Source	https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Athens_Univ-AU157006
Version
Author
Maintainer
Language
MetadataPublished	2016-02-29
Related Molecule	8-chloro-1-methyl-6-phenyl-4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazepine

Field	Value
Measurement Technique	liquid chromatography-mass spectrometry
Measurement Variables

Data-Source Molecule ID	Data-Source
DB00404	drugbank
CHEBI:2611	chebi
08H	rcsb_pdb
CHEMBL661	chembl
29381667	surechembl
8398	surechembl
2118	pubchem
08H	pdbe
7111	gtopdb
PD003153	probes_and_drugs
MENMIB	CCDC
88187	brenda
YU55MQ3IZY	fdasrs
HMDB0014548	hmdb
DTXSID4022577	comptox
NCT00004373	clinicaltrials
NCT00139854	clinicaltrials
NCT00198094	clinicaltrials
NCT00245609	clinicaltrials
NCT00266409	clinicaltrials
NCT00356278	clinicaltrials
NCT00426608	clinicaltrials
NCT00444522	clinicaltrials
NCT00477451	clinicaltrials
NCT00477451	clinicaltrials
NCT00555139	clinicaltrials
NCT00574639	clinicaltrials
NCT00580190	clinicaltrials
NCT00603980	clinicaltrials
NCT00634790	clinicaltrials
NCT00635076	clinicaltrials
NCT00635531	clinicaltrials
NCT00647634	clinicaltrials
NCT00647894	clinicaltrials
NCT00650299	clinicaltrials
NCT00662259	clinicaltrials
NCT00703885	clinicaltrials
NCT00803400	clinicaltrials
NCT00810316	clinicaltrials
NCT00810316	clinicaltrials
NCT00829426	clinicaltrials
NCT00830024	clinicaltrials
NCT00860119	clinicaltrials
NCT00865657	clinicaltrials
NCT00865761	clinicaltrials
NCT00877955	clinicaltrials
NCT00878514	clinicaltrials
NCT00878865	clinicaltrials
NCT00912145	clinicaltrials
NCT00913341	clinicaltrials
NCT00921063	clinicaltrials
NCT00975481	clinicaltrials
NCT01027689	clinicaltrials
NCT01046162	clinicaltrials
NCT01161472	clinicaltrials
NCT01188031	clinicaltrials
NCT01188057	clinicaltrials
NCT01256151	clinicaltrials
NCT01285505	clinicaltrials
NCT01322867	clinicaltrials
NCT01330472	clinicaltrials
NCT01486615	clinicaltrials
NCT01486615	clinicaltrials
NCT01546090	clinicaltrials
NCT01546896	clinicaltrials
NCT01546896	clinicaltrials
NCT01549691	clinicaltrials
NCT01745562	clinicaltrials
NCT01745575	clinicaltrials
NCT01747590	clinicaltrials
NCT01853956	clinicaltrials
NCT01949038	clinicaltrials
NCT02351115	clinicaltrials
NCT02374567	clinicaltrials
NCT02570581	clinicaltrials
NCT02570581	clinicaltrials
NCT03012334	clinicaltrials
NCT03130842	clinicaltrials
NCT03286218	clinicaltrials
NCT03297944	clinicaltrials
NCT03327506	clinicaltrials
NCT03398083	clinicaltrials
NCT03447353	clinicaltrials
NCT03478982	clinicaltrials
NCT03509285	clinicaltrials
NCT03516305	clinicaltrials
NCT03635437	clinicaltrials
NCT03702803	clinicaltrials
NCT03814733	clinicaltrials
NCT03948243	clinicaltrials
NCT04184141	clinicaltrials
NCT04592536	clinicaltrials
NCT04658732	clinicaltrials
NCT04715269	clinicaltrials
NCT04782388	clinicaltrials
NCT04802746	clinicaltrials
NCT04857307	clinicaltrials
NCT04970342	clinicaltrials
NCT05006079	clinicaltrials
NCT05076617	clinicaltrials
NCT05077904	clinicaltrials
NCT05602818	clinicaltrials
NCT05626439	clinicaltrials
NCT06097676	clinicaltrials
NCT06357104	clinicaltrials
136	drugcentral
50001728	bindingdb
The data in this table is sourced from UniChem at EBI.