MSI_000053197

Unreliable

排名分数: 2.85
参考来源: DESI (NOVOCELL:BACKGROUND: blank)

M/z: 342.1949
Mass Window: 342.1949 ~ 342.1949 (none)

参考注释

7-Acetylintermedine_[M+H]+ (BioDeep_00000004088)
[(1R,7AR)-1-(acetyloxy)-2,3,5,7a-tetrahydro-1H-pyrrolizin-7-yl]methyl (2S)-2-hydroxy-2-[(1R)-1-hydroxyethyl]-3-methylbutanoic acid

Formula: C17H27NO6 (341.1838282)
SMILES: CC(C)[C@](O)([C@@H](C)O)C(=O)OCC1=CCN2CC[C@@H](OC(C)=O)[C@@H]12

7-acetylintermedine belongs to alkaloids and derivatives class of compounds. Those are naturally occurring chemical compounds that contain mostly basic nitrogen atoms. This group also includes some related compounds with neutral and even weakly acidic propertiesand is also some synthetic compounds of similar structure are attributed to alkaloids. In addition to carbon, hydrogen and nitrogen, alkaloids may also contain oxygen, sulfur and more rarely other elements such as chlorine, bromine, and phosphorus. 7-acetylintermedine is soluble (in water) and a very weakly acidic compound (based on its pKa). 7-acetylintermedine can be found in borage, which makes 7-acetylintermedine a potential biomarker for the consumption of this food product.