Spectrum KO002115 for 2-Aminobenzimidazole

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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/C7H7N3/c8-7-9-5-3-1-2-4-6(5)10-7/h1-4H,(H3,8,9,10)
JWYUFVNJZUSCSM-UHFFFAOYSA-N
C7H7N3
133.063997224
N=C1NC=2C=CC=CC2N1

Mass Spectral Metadata

NameValue
KO002115
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 A042
133.064
API3000, Applied Biosystems
LC-ESI-QQ
MS2
30 V
positive
1.6085662495084616
0.4091143401987287
134
[M+H]+
537.0688358208275 ppm
-0.07196722399999089 Da