Spectrum WA001002 for Diazepam

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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
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
AAOVKJBEBIDNHE-UHFFFAOYSA-N
C16H13ClN2O
284.071640716
O=C1N(C=2C=CC(Cl)=CC2C(=NC1)C=3C=CC=CC3)C

Mass Spectral Metadata

NameValue
WA001002
2016.01.19 (Created 2007.08.01, modified 2012.10.22)
Nihon Waters K.K.
CC BY-NC
284.07164
ZQ, Waters
LC-ESI-Q
MS1
ESI
16.900 min
2.1 mm id - 3. 5{mu}m XTerra C18MS
35 C
45 V
ignore rel.int. < 5
positive
1.4582925014565942
0.5525808344865305