Spectrum WA000739 for Nortryptyline

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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/C19H21N/c1-20-14-6-11-19-17-9-4-2-7-15(17)12-13-16-8-3-5-10-18(16)19/h2-5,7-11,20H,6,12-14H2,1H3
PHVGLTMQBUFIQQ-UHFFFAOYSA-N
C19H21N
263.167399672
C=1C=CC2=C(C1)C(=CCCNC)C=3C=CC=CC3CC2

Mass Spectral Metadata

NameValue
CC BY-NC
WA000739
2016.01.19 (Created 2007.08.01, modified 2011.05.06)
Nihon Waters K.K.
263.1674
ZQ, Waters
LC-ESI-Q
MS1
ESI
14.500 min
2.1 mm id - 3. 5{mu}m XTerra C18MS
35 C
45 V
ignore rel.int. < 5
positive
2.4898640437044697
0.725065032406774