Spectrum FiehnHILIC002350 for Temazepam

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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
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
M + 0
1.05795
15 eV
positive
74
35 eV
LC-ESI-QTOF
SCIEX TripleTOF 6600
Michael Sa and Megan Showalter
MS2
Waters Acquity UPLC BEH Amide column (2.1 x 150mm: 1.7µm)
1.641193980890237
0.2693321062734103
301.0758
[M+H]+
4.233697959096043 ppm
0.0012746639999932086 Da