Spectrum PS039602 for Cyanidin chloride

Rating: (*)★(*)★(*)☆( )☆( )☆

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
287.055
[C15H11O6]+
287.0550144920907
OC=1C=C(O)C=2C=C(O)C(=[O+]C2C1)C=3C=CC(O)=C(O)C3
InChI=1S/C15H10O6/c16-8-4-11(18)9-6-13(20)15(21-14(9)5-8)7-1-2-10(17)12(19)3-7/h1-6H,(H4-,16,17,18,19,20)/p+1
VEVZSMAEJFVWIL-UHFFFAOYSA-O

Mass Spectral Metadata

NameValue
PS039602
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
Q
LOW-ENERGY CID
20
Q
CENTROID
[M+H]+
MS2
positive
0.6275409575836572
0.9053502274606536
287.29