Spectrum PM000911 for D1-pyrroline-5-carboxylic acid

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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
113.05
InChI=1S/C5H7NO2/c7-5(8)4-2-1-3-6-4/h3-4H,1-2H2,(H,7,8)
DWAKNKKXGALPNW-UHFFFAOYSA-N
C5H7NO2
113.047678464
O=C(O)C1N=CCC1

Mass Spectral Metadata

NameValue
PM000911
Piraud M, et al.
Copyright(C) 2012 Plant Science Center, RIKEN
MeOH/H2O
QqQ
API 2000
20
ESI
positive
authentic sample
[M+H]+
MS2
0.5477840062793453
0.49861449023426185
114
[M+H]+
488.1444210526385 ppm
-0.055648464000000786 Da