Spectrum VF-NPL-QEHF003378 for Syringic Acid

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  • Originally submitted to the Vaniya/Fiehn Natural Products Library

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
InChI=1S/C9H10O5/c1-13-6-3-5(9(11)12)4-7(14-2)8(6)10/h3-4,10H,1-2H3,(H,11,12)
C9H10O5
198.05282341999998
O=C(O)C1=CC(OC)=C(O)C(OC)=C1
JMSVCTWVEWCHDZ-UHFFFAOYSA-N

Mass Spectral Metadata

NameValue
65HCD
NP_C1_74_p7_E10_POS_QEHF_204.raw
10
positive
ESI-QFT
Thermo Q Exactive HF
Arpana Vaniya
MS2
direct injection
3.873199965887012
0.7187137525851591
199.0601043701172
[M+H]+
3.461516736237174 ppm
-6.890498827942793E-4 Da