Spectrum KO002429 for Benzamidine

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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/C7H8N2/c8-7(9)6-4-2-1-3-5-6/h1-5H,(H3,8,9)
PXXJHWLDUBFPOL-UHFFFAOYSA-N
C7H8N2
120.06874825599999
N=C(N)C=1C=CC=CC1

Mass Spectral Metadata

NameValue
KO002429
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 B004
120.06875
API3000, Applied Biosystems
LC-ESI-QQ
MS2
20 V
positive
0.7476113706977506
0.2322585310442543
121
[M+H]+
634.035173553656 ppm
-0.07671825599999238 Da