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M-144 (XLR-11 2-Methylindole analog)
SpectraBase Compound ID 7FUsd01k78Z
InChI InChI=1S/C22H30FNO/c1-15-18(19(25)20-21(2,3)22(20,4)5)16-11-7-8-12-17(16)24(15)14-10-6-9-13-23/h7-8,11-12,20H,6,9-10,13-14H2,1-5H3
InChIKey SVBIXYNVVDXJGW-UHFFFAOYSA-N
Mol Weight 343.49 g/mol
Molecular Formula C22H30FNO
Exact Mass 343.231143 g/mol

Mass Spectrum (LC)

Mass Spectrum (LC)

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SpectraBase Spectrum ID IN38ujA27nZ
Name M-144 ##
Collision Gas N2
Comments FTMS + p ESI d Full ms2 [email protected] [50.00-370.00]
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Formula C22H30FNO
InChI InChI=1S/C22H30FNO/c1-15-18(19(25)20-21(2,3)22(20,4)5)16-11-7-8-12-17(16)24(15)14-10-6-9-13-23/h7-8,11-12,20H,6,9-10,13-14H2,1-5H3
InChIKey SVBIXYNVVDXJGW-UHFFFAOYSA-N
Inlet Type UHPLC
Instrument Name Thermo Fisher Q Exactive Orbitrap
Ion Polarity P
Ionization Type HESI
Precursor Ion [M+H]+
SMILES C=1C=C2C(C(C3C(C3(C)C)(C)C)=O)=C(N(C2=CC1)CCCCCF)C
Sample Comments The MMHW Reference Handbook is attached to Record #1, under the Attachments tab. Refer to this reference for the sample preparation procedure and abbreviations, as well as other relevant information pertaining to this database.
Selected Ion Charge 1
Source of Spectrum Maurer/Meyer/Helfer/Weber c/o Saarland University Homburg/Saar
Spectrum Type ms2
Technique HCD