Human Metabolome Database: Predicted GC-MS Spectrum - 6-({11,15-dimethoxy-13-oxo-6,8,20-trioxapentacyclo[10.8.0.0²,⁹.0³,⁷.0¹⁴,¹⁹]icosa-1(12),2(9),4,10,14,16,18-heptaen-17-yl}oxy)-3,4,5-trihydroxyoxane-2-carboxylic acid GC-MS (Non-derivatized)

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Spectrum Details

HMDB ID:	HMDB0128877
Compound Name:	6-({11,15-dimethoxy-13-oxo-6,8,20-trioxapentacyclo[10.8.0.0²,⁹.0³,⁷.0¹⁴,¹⁹]icosa-1(12),2(9),4,10,14,16,18-heptaen-17-yl}oxy)-3,4,5-trihydroxyoxane-2-carboxylic acid
Derivative IUPAC Name:	Not Available
Derivative SMILES:	Not Available
Derivative InChIKey:	Not Available
Spectrum Type:	Predicted GC-MS Spectrum - 6-({11,15-dimethoxy-13-oxo-6,8,20-trioxapentacyclo[10.8.0.0²,⁹.0³,⁷.0¹⁴,¹⁹]icosa-1(12),2(9),4,10,14,16,18-heptaen-17-yl}oxy)-3,4,5-trihydroxyoxane-2-carboxylic acid GC-MS (Non-derivatized) - 70eV, Positive
Splash Key:	splash10-0nmi-9203850000-85723b0a00b162e398ee
Notes:	This is a predicted spectrum, and it should only be used as a guide. Further evidence is required to confirm identification.

Spectrum View

Experimental Conditions

Ionization Mode:	Positive
Ionization Energy:	70 eV
Chromatography Type:	Gas Chromatography Column (GC)
Instrument Type:	Single quadrupole, spectrum predicted by CFM-ID(EI)
Mass Resolution:	0.0001 Da
Molecular Formula:	C25H22O13
Molecular Weight (Monoisotopic Mass):	530.106 Da

Notes

Predicted by CFMID-EI, energy0

Documentation

Document Description	Download	File Size
List of m/z values for the spectrum (TXT)	Download file	753 Bytes
Generated list of m/z values for the spectrum (TXT)	Download file	753 Bytes
mzML formatted file (MZML)	Download file	4.66 KB

References

Not Available

Predicted GC-MS Spectrum - 6-({11,15-dimethoxy-13-oxo-6,8,20-trioxapentacyclo[10.8.0.0²,⁹.0³,⁷.0¹⁴,¹⁹]icosa-1(12),2(9),4,10,14,16,18-heptaen-17-yl}oxy)-3,4,5-trihydroxyoxane-2-carboxylic acid GC-MS (Non-derivatized) - 70eV, Positive (HMDB0128877)