Spectrum FiehnHILIC000783 for Temazepam

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
SEQDDYPDSLOBDC-UHFFFAOYSA-N
C16H13ClN2O2
300.066555336
O=C1N(C=2C=CC(Cl)=CC2C(=NC1O)C=3C=CC=CC3)C
InChI=1S/C16H13ClN2O2/c1-19-13-8-7-11(17)9-12(13)14(18-15(20)16(19)21)10-5-3-2-4-6-10/h2-9,15,20H,1H3

Mass Spectral Metadata

NameValue
MS2
M + 0
1.153517
positive
HCD (NCE 20-30-40%)
127
LC-ESI-QFT
Thermo Q Exactive HF
Michael Sa and Megan Showalter
Waters Acquity UPLC BEH Amide column (2.1 x 150mm: 1.7µm)
1.5344609597030376
0.521138651729654
301.0734
[M+H]+
3.737746343681042 ppm
-0.0011253360000296198 Da