Spectrum WA001089 for Mirtazapine

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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/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
C17H19N3
265.157897608
N=1C=CC=C2C1N3CCN(C)CC3C=4C=CC=CC4C2

Mass Spectral Metadata

NameValue
CC BY-NC
WA001089
2016.01.19 (Created 2007.08.01, modified 2011.05.06)
Nihon Waters K.K.
265.1579
ZQ, Waters
LC-ESI-Q
MS1
ESI
11.700 min
2.1 mm id - 3. 5{mu}m XTerra C18MS
35 C
15 V, 30 V
ignore rel.int. < 5
positive
0.5689372517295231
0.41040147582358943