Spectrum MoNA000024 for Matricarin

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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
InChI=1S/C17H20O5/c1-7-5-11(19)13-8(2)6-12(21-10(4)18)15-9(3)17(20)22-16(15)14(7)13/h5,9,12,14-16H,6H2,1-4H3/t9-,12-,14-,15+,16+/m0/s1
QONYNSMAVSRIRD-UPQAZBFISA-N
C17H20O5
304.13107374
O=C1C=C(C)C2C1=C(C)CC(OC(=O)C)C3C2OC(=O)C3C

Mass Spectral Metadata

NameValue
18 psi
20 V
Nitrogen
304.1311
CID
6540 Q-TOF Agilent
LC-ESI-QTOF
flow injection analysis
ESI
positive
MS2
water / acetonitrile 60 / 40 with 0.1 % formic acid
2.103364036599579
0.8200411561658368
305.1384
[M+H]+
2.1096656467582977 ppm
-6.437399999867921E-4 Da