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beta-Carotene

URL: https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Antwerp_Univ-METOX_N101001_EBBF

Dataset description:

This MassBank record with Accession MSBNK-Antwerp_Univ-METOX_N101001_EBBF contains the MS2 mass spectrum of beta-Carotene with the InChIkey OENHQHLEOONYIE-JLTXGRSLSA-N.

Source: beta-Carotene

Chemical Info

molecular Image

InChI	InChI=1S/C40H56/c1-31(19-13-21-33(3)25-27-37-35(5)23-15-29-39(37,7)8)17-11-12-18-32(2)20-14-22-34(4)26-28-38-36(6)24-16-30-40(38,9)10/h11-14,17-22,25-28H,15-16,23-24,29-30H2,1-10H3/b12-11+,19-13+,20-14+,27-25+,28-26+,31-17+,32-18+,33-21+,34-22+
SMILES	CC1=C(C(CCC1)(C)C)/C=C/C(=C/C=C/C(=C/C=C/C=C(/C=C/C=C(/C=C/C2=C(CCCC2(C)C)C)\C)\C)/C)/C
InChI Key	OENHQHLEOONYIE-JLTXGRSLSA-N
Molecular Formula	C40H56
Exact Mass	536.438 g/mol

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Additional Information

Field	Value
Data last updated	January 11, 2024
Metadata last updated	January 11, 2024
Created	January 11, 2024
Format	HTML
License	Attribution 4.0 International (CC BY 4.0)
Id	1abbe6bc-1687-49ad-b09b-635f27d964ba
Package id	msbnk-antwerp_univ-metox_n101001_ebbf
Resource type	HTML
State	active