Spectrum WA001888 for Phenytoin

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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/C15H12N2O2/c18-13-15(17-14(19)16-13,11-7-3-1-4-8-11)12-9-5-2-6-10-12/h1-10H,(H2,16,17,18,19)
CXOFVDLJLONNDW-UHFFFAOYSA-N
C15H12N2O2
252.089877624
OC=1N=C(O)C(N1)(C=2C=CC=CC2)C=3C=CC=CC3

Mass Spectral Metadata

NameValue
ESI
WA001888
2016.01.19 (Created 2007.08.01, modified 2011.05.06)
Nihon Waters K.K.
CC BY-NC
252.08988
ZQ, Waters
LC-ESI-Q
MS1
14.900 min
2.1 mm id - 3. 5{mu}m XTerra C18MS
35 C
15 V
ignore rel.int. < 5
positive
2.6788058736529226
0.668475953914853