Spectrum WA002369 for Phenprobamate

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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/C10H13NO2/c11-10(12)13-8-4-7-9-5-2-1-3-6-9/h1-3,5-6H,4,7-8H2,(H2,11,12)
CAMYKONBWHRPDD-UHFFFAOYSA-N
C10H13NO2
179.094628656
N=C(O)OCCCC=1C=CC=CC1

Mass Spectral Metadata

NameValue
WA002369
2016.01.19 (Created 2007.08.01, modified 2012.05.21)
Nihon Waters K.K.
CC BY-NC
179.09463
ZQ, Waters
LC-ESI-Q
MS1
ESI
15.600 min
2.1 mm id - 3. 5{mu}m XTerra C18MS
35 C
15 V
ignore rel.int. < 5
positive
1.3731039021800369
0.5963314477966124