Gibberellin A4
URL: https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-NaToxAq-NA002088
Dataset description:
This MassBank record with Accession MSBNK-NaToxAq-NA002088 contains the MS2 mass spectrum of Gibberellin A4 with the InChIkey RSQSQJNRHICNNH-NFMPGMCNSA-N.
Source: Gibberellin A4; LC-ESI-ITFT; MS2; CE: 80%; R=15000; [M+H]+
Chemical Info
| InChI | InChI=1S/C19H24O5/c1-9-7-18-8-10(9)3-4-11(18)19-6-5-12(20)17(2,16(23)24-19)14(19)13(18)15(21)22/h10-14,20H,1,3-8H2,2H3,(H,21,22)/t10-,11-,12+,13-,14-,17-,18+,19-/m1/s1 |
|---|---|
| SMILES | C[C@]12[C@H]3[C@H](C(O)=O)[C@@]45C[C@@H](CC[C@H]4[C@@]3(CC[C@@H]1O)OC2=O)C(=C)C5 |
| InChI Key | RSQSQJNRHICNNH-NFMPGMCNSA-N |
| Exact Mass | 332.162 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 | bfce529f-1ba5-4a85-80cd-3ebada4d0b8b |
| Package id | msbnk-natoxaq-na002088 |
| Resource type | HTML |
| State | active |