Spectrum WA002685 for Naphazoline

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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/C14H14N2/c1-2-7-13-11(4-1)5-3-6-12(13)10-14-15-8-9-16-14/h1-7H,8-10H2,(H,15,16)
CNIIGCLFLJGOGP-UHFFFAOYSA-N
C14H14N2
210.115698448
N1=C(NCC1)CC2=CC=CC=3C=CC=CC32

Mass Spectral Metadata

NameValue
WA002685
2016.01.19 (Created 2007.08.01, modified 2011.05.06)
Nihon Waters K.K.
CC BY-NC
210.1157
ZQ, Waters
LC-ESI-Q
MS1
ESI
11.080 min
2.1 mm id - 3. 5{mu}m XTerra C18MS
35 C
15 V, 45 V
ignore rel.int. < 5
positive
0.3916983907624589
0.5651013258771868