Spectrum FiehnHILIC002238 for Phendimetrazine

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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
MFOCDFTXLCYLKU-UHFFFAOYSA-N
C12H17NO
191.131014164
O1CCN(C)C(C)C1C=2C=CC=CC2
InChI=1S/C12H17NO/c1-10-12(14-9-8-13(10)2)11-6-4-3-5-7-11/h3-7,10,12H,8-9H2,1-2H3

Mass Spectral Metadata

NameValue
M + 0
15 eV
212
2.477517
positive
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)
2.5298715359115778
0.48769681504372786
192.1379
[M+H]+
5.642634795066489 ppm
-0.0010841639999910058 Da