Spectrum WA002979 for Mexiletine

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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/C11H17NO/c1-8-5-4-6-9(2)11(8)13-7-10(3)12/h4-6,10H,7,12H2,1-3H3
VLPIATFUUWWMKC-UHFFFAOYSA-N
C11H17NO
179.131014164
O(C=1C(=CC=CC1C)C)CC(N)C

Mass Spectral Metadata

NameValue
WA002979
Nihon Waters K.K.
2016.01.19 (Created 2007.08.01, modified 2011.05.06)
CC BY-NC
179.13101
ZQ, Waters
LC-ESI-Q
MS1
ESI
12.350 min
2.1 mm id - 3. 5{mu}m XTerra C18MS
35 C
15 V
ignore rel.int. < 5
positive
0.8402340354759456
0.3183841540867326