Spectrum FiehnHILIC000669 for Phendimetrazine

Rating: (*)★(*)★(*)★(*)★(*)★
  • 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
2.710433
positive
HCD (NCE 20-30-40%)
440
LC-ESI-QFT
Thermo Q Exactive HF
Michael Sa and Megan Showalter
MS2
Waters Acquity UPLC BEH Amide column (2.1 x 150mm: 1.7µm)
0.8720572801730844
0.28212400616679423
192.1382
[M+H]+
4.081249850269477 ppm
-7.841639999810468E-4 Da