Dataset

AO1680; LC-ESI-QFT; MS2; CE: 45%; R=17500; [M+H]+

This MassBank record with Accession MSBNK-Eawag-EQ01096503 contains the MS2 mass spectrum of AO1680 with the InChIkey AZSKHRTUXHLAHS-UHFFFAOYSA-N.

Chemical Information

Molecular Image

InChI	InChI=1S/C42H63O4P/c1-37(2,3)28-19-22-34(31(25-28)40(10,11)12)44-47(43,45-35-23-20-29(38(4,5)6)26-32(35)41(13,14)15)46-36-24-21-30(39(7,8)9)27-33(36)42(16,17)18/h19-27H,1-18H3
SMILES	CC(C)(C)C1=CC(=C(C=C1)OP(=O)(OC2=C(C=C(C=C2)C(C)(C)C)C(C)(C)C)OC3=C(C=C(C=C3)C(C)(C)C)C(C)(C)C)C(C)(C)C
InChI Key	AZSKHRTUXHLAHS-UHFFFAOYSA-N
Exact Mass	662.446 g/mol

Data and Resources

AO1680; LC-ESI-QFT; MS2; CE: 45%; R=17500; [M+H]+HTML

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Related Molecule ⌄

tris(2,4-ditert-butylphenyl) phosphate

Metadata Information

Field	Value
DOI
License URL	https://creativecommons.org/licenses/by-sa/4.0
Source	https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Eawag-EQ01096503
Version
Author
Maintainer
Language
MetadataPublished	2024-01-16
Related Molecule	tris(2,4-ditert-butylphenyl) phosphate

Field	Value
Measurement Technique	liquid chromatography-mass spectrometry
Measurement Variables

Data-Source Molecule ID	Data-Source
CHEBI:178063	chebi
29355190	surechembl
82774	surechembl
14572930	pubchem
F32IRS6B46	fdasrs
PD157612	probes_and_drugs
SABMIT	CCDC
DTXSID20893779	comptox
Molport-009-680-370	molport
The data in this table is sourced from UniChem at EBI.