Spectrum PM000308 for Feruloylquinic 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
368.11
InChI=1S/C17H20O9/c1-25-12-6-9(2-4-10(12)18)3-5-14(20)26-13-8-17(24,16(22)23)7-11(19)15(13)21/h2-6,11,13,15,18-19,21,24H,7-8H2,1H3,(H,22,23)/b5-3+
RAGZUCNPTLULOL-HWKANZROSA-N
C17H20O9
368.11073222
O=C(OC1CC(O)(C(=O)O)CC(O)C1O)C=CC2=CC=C(O)C(OC)=C2

Mass Spectral Metadata

NameValue
PM000308
Foeniculum vulgare
[M-H]-
Parejo I, et al.
Copyright(C) 2012 Plant Science Center, RIKEN
H2O/NH3CN/HCOOH
QqQ
API 3000
35
ESI
negative
MS2
0.6911086741443572
0.9970590569034107
367
[M-H]-
281.8970572207036 ppm
-0.10345621999999821 Da