Spectrum PM006907 for Psoralidin

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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
336.1
InChI=1S/C20H16O5/c1-10(2)3-4-11-7-14-17(9-15(11)22)25-20(23)18-13-6-5-12(21)8-16(13)24-19(14)18/h3,5-9,21-22H,4H2,1-2H3
YABIJLLNNFURIJ-UHFFFAOYSA-N
C20H16O5
336.099773612
O=C1OC2=CC(O)=C(C=C2C=3OC=4C=C(O)C=CC4C13)CC=C(C)C

Mass Spectral Metadata

NameValue
PM006907
Zhao L, Huang C, Shan Z, Xiang B, & Mei L
Copyright(C) 2012 Plant Science Center, RIKEN
H2O/CH3CN/CH3COOH
QIT
G2445A
ESI
positive
Psoralea corylifolia
[M+H]+
MS2
0.5660857389596289
0.5152734452350943
337
[M+H]+
319.7139821957829 ppm
-0.10774361199997884 Da