Go to resource

Avermectin B1a

URL: https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-MSSJ-MSJ02300

Dataset description:

This MassBank record with Accession MSBNK-MSSJ-MSJ02300 contains the MS mass spectrum of Avermectin B1a with the InChIkey RRZXIRBKKLTSOM-XPNPUAGNSA-N.

Source: Avermectin B1a; LC-ESI-QTOF; MS; ESI; NEGATIVE

Chemical Info

molecular Image

InChI	InChI=1S/C48H72O14/c1-11-25(2)43-28(5)17-18-47(62-43)23-34-20-33(61-47)16-15-27(4)42(26(3)13-12-14-32-24-55-45-40(49)29(6)19-35(46(51)58-34)48(32,45)52)59-39-22-37(54-10)44(31(8)57-39)60-38-21-36(53-9)41(50)30(7)56-38/h12-15,17-19,25-26,28,30-31,33-45,49-50,52H,11,16,20-24H2,1-10H3/b13-12+,27-15+,32-14+/t25-,26-,28-,30-,31-,33+,34-,35-,36-,37-,38-,39-,40+,41-,42-,43+,44-,45+,47+,48+/m0/s1
SMILES	CC[C@H](C)[C@H]1O[C@]2(C=C[C@@H]1C)C[C@@H]1C[C@@H](C/C=C(\C)[C@@H](O[C@H]3C[C@H](OC)[C@@H](O[C@H]4C[C@H](OC)[C@@H](O)[C@H](C)O4)[C@H](C)O3)[C@@H](C)/C=C/C=C3\CO[C@@H]4[C@H](O)C(C)=C[C@@H](C(=O)O1)[C@]34O)O2
InChI Key	RRZXIRBKKLTSOM-XPNPUAGNSA-N
Exact Mass	872.492 g/mol

There are no views created for this resource yet.

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	df32c64f-4b13-4ac2-a0d4-9633362f7ae3
Package id	msbnk-mssj-msj02300
Resource type	HTML
State	active