Spectrum CCMSLIB00000078388 for "Mirtazapine (Remeron, Avanza)"

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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
85650-52-8
C17H19N3
265.157897608
N=1C=CC=C2C1N3CCN(C)CC3C=4C=CC=CC4C2
InChI=1S/C17H19N3/c1-19-9-10-20-16(12-19)15-7-3-2-5-13(15)11-14-6-4-8-18-17(14)20/h2-8,16H,9-12H2,1H3
RONZAEMNMFQXRA-UHFFFAOYSA-N

Mass Spectral Metadata

NameValue
LC-ESI
Commercial
qTof
265.158
1
Plate6_21_40_GD8_01_15775.mzXML
MS2
GNPS-SELLECKCHEM-FDA-PART2
negarg, Garg_Neha, Dorrestein
positive
3.157679819600643
0.4888121553347203
266.165
[M+H]+
3.2596622394550296 ppm
-8.676079999645481E-4 Da