CID 135398579
Sepiapterin
Structural Information
- Molecular Formula
- C9H11N5O3
- SMILES
- C[C@@H](C(=O)C1=NC2=C(NC1)N=C(NC2=O)N)O
- InChI
- InChI=1S/C9H11N5O3/c1-3(15)6(16)4-2-11-7-5(12-4)8(17)14-9(10)13-7/h3,15H,2H2,1H3,(H4,10,11,13,14,17)/t3-/m0/s1
- InChIKey
- VPVOXUSPXFPWBN-VKHMYHEASA-N
- Compound name
- 2-amino-6-[(2S)-2-hydroxypropanoyl]-7,8-dihydro-3H-pteridin-4-one
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 238.09346 | 153.0 |
[M+Na]+ | 260.07540 | 161.4 |
[M-H]- | 236.07890 | 148.4 |
[M+NH4]+ | 255.12000 | 163.7 |
[M+K]+ | 276.04934 | 156.6 |
[M+H-H2O]+ | 220.08344 | 145.1 |
[M+HCOO]- | 282.08438 | 165.5 |
[M+CH3COO]- | 296.10003 | 188.2 |
[M+Na-2H]- | 258.06085 | 157.1 |
[M]+ | 237.08563 | 148.1 |
[M]- | 237.08673 | 148.1 |