Spectrum FiehnHILIC001881 for Diazepam

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  • Originally submitted to the Fiehn Lab HILIC Library

Compound Information

Chemical Names

Compound Classification (provided by ClassyFire)

ClassyFire is a freely accessible computational tool that uses the ChemOnt taxonomy to classify chemical entities based on their structure. ClassyFire combines structure search, IUPAC name parsing, and evaluation of logical expressions to retrieve structural features, which are then mapped to the corresponding ChemOnt classes.

Compound Metadata

NameValue
AAOVKJBEBIDNHE-UHFFFAOYSA-N
C16H13ClN2O
284.071640716
O=C1N(C=2C=CC(Cl)=CC2C(=NC1)C=3C=CC=CC3)C
InChI=1S/C16H13ClN2O/c1-19-14-8-7-12(17)9-13(14)16(18-10-15(19)20)11-5-3-2-4-6-11/h2-9H,10H2,1H3

Mass Spectral Metadata

NameValue
M + 0
1.00295
15 eV
positive
35 eV
69
LC-ESI-QTOF
SCIEX TripleTOF 6600
Michael Sa and Megan Showalter
MS2
Waters Acquity UPLC BEH Amide column (2.1 x 150mm: 1.7µm)
2.268850517397814
0.428626461638907
285.0794
[M+H]+
0.7391484616902503 ppm
-2.1071599996957957E-4 Da