Folic acid
URL: https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Washington_State_Univ-BML00977
Dataset description:
This MassBank record with Accession MSBNK-Washington_State_Univ-BML00977 contains the MS2 mass spectrum of Folic acid with the InChIkey OVBPIULPVIDEAO-LBPRGKRZSA-N.
Source: Folic acid
Chemical Info
| InChI | InChI=1S/C19H19N7O6/c20-19-25-15-14(17(30)26-19)23-11(8-22-15)7-21-10-3-1-9(2-4-10)16(29)24-12(18(31)32)5-6-13(27)28/h1-4,8,12,21H,5-7H2,(H,24,29)(H,27,28)(H,31,32)(H3,20,22,25,26,30)/t12-/m0/s1 |
|---|---|
| SMILES | C1=CC(=CC=C1C(=O)N[C@@H](CCC(=O)O)C(=O)O)NCC2=CN=C3C(=N2)C(=O)NC(=N3)N |
| InChI Key | OVBPIULPVIDEAO-LBPRGKRZSA-N |
| Molecular Formula | C19H19N7O6 |
| Exact Mass | 441.140 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-ShareAlike 4.0 International (CC BY-SA 4.0) |
| Id | 4bd6e5dc-1787-4b76-a6da-23e3f053e5f4 |
| Package id | msbnk-washington_state_univ-bml00977 |
| Resource type | HTML |
| State | active |