Spectrum FiehnHILIC000304 for Diazepam

Rating: (*)★(*)★(*)★(*)★(*)★
  • 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
positive
115
HCD (NCE 20-30-40%)
1.100617
LC-ESI-QFT
Thermo Q Exactive HF
Michael Sa and Megan Showalter
MS2
Waters Acquity UPLC BEH Amide column (2.1 x 150mm: 1.7µm)
1.110885109153587
0.3495488649517189
285.0784
[M+H]+
4.246958029800841 ppm
-0.0012107160000027761 Da