Spectrum PT101740 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
120.15
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
PT101740
Matsuda F, Suzuki M, Sawada Y, Plant Science Center, RIKEN.
Copyright(C) 2009 Plant Science Center, RIKEN
Q-Tof Premier, Waters
LC-Q-TOF/MS
ESI
120 C
Q
Q
LOW-ENERGY CID
Ramp 5-45 V
TOF
Continuum
CH3CN/H2O
3.0 kV
23.0 V
[M+H]+
MS2
positive
0.18397350132525886
0.16745989756613505
121.07654
[M+H]+
1.4722587876900048 ppm
-1.7825599999810038E-4 Da