Spectrum PS017405 for Benzamidine hydrochloride hydrate

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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
Benzamidine
120.068
C7H8N2
120.06874825599999
N=C(N)C=1C=CC=CC1
InChI=1S/C7H8N2/c8-7(9)6-4-2-1-3-5-6/h1-5H,(H3,8,9)
PXXJHWLDUBFPOL-UHFFFAOYSA-N

Mass Spectral Metadata

NameValue
Q
PS017405
Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN
Copyright(C) 2008 Plant Science Center, RIKEN
TQD, Waters
ESI
Sawada et al Widely targeted metabolomics based on large-scale MS/MS data for elucidating metabolite accumulation patterns in plants. Plant Cell Physiol(2009) 50:37-47:doi:10.1093/pcp/pcn183
Flow-injection QqQ/MS
Q
LOW-ENERGY CID
50
Q
CENTROID
[M+H]+
MS2
positive
1.3901445543215138
0.7143929821201619
121.1
[M+H]+
192.25222130472287 ppm
0.023281744000001936 Da