Spectrum MoNA037524 for AMITRIPTYLINE

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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
KRMDCWKBEZIMAB-UHFFFAOYSA-N
C20H23N
277.183049736
C=1C=CC2=C(C1)C(=CCCN(C)C)C=3C=CC=CC3CC2
InChI=1S/C20H23N/c1-21(2)15-7-12-20-18-10-5-3-8-16(18)13-14-17-9-4-6-11-19(17)20/h3-6,8-12H,7,13-15H2,1-2H3

Mass Spectral Metadata

NameValue
MS2
LC-ESI-QFT
Thermo Q Exactive HF
C20H23N
positive
HCD (NCE 20-30-40%)
Sonnenburg Lab MS2 Library C18 positive method
Sonnenburg_Lab_QE_MS2_Spectra.msp
2.275443629499078
0.7159864970726293
278.1903257
[M+H]+
2.4948243553183724 ppm
-6.940359999703105E-4 Da