Systematic / IUPAC Name: (2S,3S,4S,5R,6R)-3,4,5-Trihydroxy-6-[5-[3-(naphthalene-1-carbonyl)indol-1-yl]pentoxy]oxane-2-carboxylic acid
ID: Reference8484
Other Names: (2S,3S,4S,5R,6R)-6-((5-(3-(1-naphthoyl)-1H-indol-1-yl)pentyl)oxy)-3,4,5-trihydroxytetrahydro-2H-pyran-2-carboxylic acid
Formula: C30H31NO8
Class: Drugs of Abuse/Illegal Drugs Sports Doping Drugs
JWH 018 N-(5-hydroxypentyl) β-D-Glucuronide mass spectral data can be found in a separate interface. The data are manually curated and of the highest quality.
Used Instruments | Orbitrap Fusion with FAIMS |
No. of Spectral Trees | 3 |
No. of Spectra | 1619 |
Tandem Spectra | MS1, MS2, MS3, MS4 |
Ionization Methods | NSI |
Analyzers | FT |
Last Modification | 1/8/2019 9:01:24 AM |
InChI | InChI=1S/C30H31NO8/c32-24(21-13-8-10-18-9-2-3-11-19(18)21)22-17-31(23-14-5-4-12-20(22)23)15-6-1-7-16-38-30-27(35)25(33)26(34)28(39-30)29(36)37/h2-5,8-14,17,25-28,30,33-35H,1,6-7,15-16H2,(H,36,37)/t25-,26-,27+,28-,30+/m0/s1 |
InChI Key | MRLKIVNZXCRDEV-DPEKKGQRSA-N |
Canonical SMILES | C1=CC=C2C(=C1)C=CC=C2C(=O)C3=CN(C4=CC=CC=C43)CCCCCOC5C(C(C(C(O5)C(=O)O)O)O)O |
CAS | 1307803559 |
Splash | |
Other Names | (2S,3S,4S,5R,6R)-6-((5-(3-(1-naphthoyl)-1H-indol-1-yl)pentyl)oxy)-3,4,5-trihydroxytetrahydro-2H-pyran-2-carboxylic acid |