Spectrum KO004140 for Tolazoline

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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/C10H12N2/c1-2-4-9(5-3-1)8-10-11-6-7-12-10/h1-5H,6-8H2,(H,11,12)
JIVZKJJQOZQXQB-UHFFFAOYSA-N
C10H12N2
160.100048384
N1=C(NCC1)CC=2C=CC=CC2

Mass Spectral Metadata

NameValue
KO004140
2016.01.19 (Created 2007.07.07, modified 2011.05.10)
Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ.
CC BY-NC-SA
KEIO_ID T030
160.10005
API3000, Applied Biosystems
LC-ESI-QQ
MS2
40 V
positive
1.2163665409358917
0.31770187253664256
161
[M+H]+
670.9216397514933 ppm
-0.10801838399999042 Da