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MDMB-CHMINACA-M (HOOC-)
SpectraBase Compound ID HwG1bzTDnmh
InChI InChI=1S/C21H29N3O3/c1-21(2,3)18(20(26)27)22-19(25)17-15-11-7-8-12-16(15)24(23-17)13-14-9-5-4-6-10-14/h7-8,11-12,14,18H,4-6,9-10,13H2,1-3H3,(H,22,25)(H,26,27)
InChIKey BDFKDDNZVYVPRC-UHFFFAOYSA-N
Mol Weight 371.48 g/mol
Molecular Formula C21H29N3O3
Exact Mass 371.220892 g/mol

Mass Spectrum (LC)

Mass Spectrum (LC)

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SpectraBase Spectrum ID Lwg9PB9r0wZ
Name MDMB-CHMINACA-M (HOOC-)
Collision Gas N2
Comments FTMS + p ESI d Full ms2 [email protected] [50.00-400.00]
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Formula C21H29N3O3
InChI InChI=1S/C21H29N3O3/c1-21(2,3)18(20(26)27)22-19(25)17-15-11-7-8-12-16(15)24(23-17)13-14-9-5-4-6-10-14/h7-8,11-12,14,18H,4-6,9-10,13H2,1-3H3,(H,22,25)(H,26,27)
InChIKey BDFKDDNZVYVPRC-UHFFFAOYSA-N
Inlet Type UHPLC
Instrument Name Thermo Fisher Q Exactive Orbitrap
Ion Polarity P
Ionization Type HESI
Precursor Ion [M+H]+
SMILES N(C(C=1C2=C(N(N1)CC1CCCCC1)C=CC=C2)=O)C(C(O)=O)C(C)(C)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