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6-MAPB-M (ring cleavage-COOH-) MS3_2
SpectraBase Compound ID EhX3K7t6j3V
InChI InChI=1S/C9H8O3/c1-6-2-3-7(5-9(11)12)8(10)4-6/h2-4H,1,5H2,(H-,10,11,12)/p+1
InChIKey XKVZPZVLUILXQJ-UHFFFAOYSA-O
Mol Weight 165.17 g/mol
Molecular Formula C9H9O3
Exact Mass 165.055169 g/mol

Mass Spectrum (LC)

Mass Spectrum (LC)

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SpectraBase Spectrum ID 260BvQT7fnt
Name 6-MAPB-M (nor-ring cleavage-COOH-) MS3_1
Comments F: ITMS + c ESI d w Full ms3 [email protected] [email protected] [50.00-180.00]
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Formula C9H9O3
InChI InChI=1S/C9H8O3/c1-6-2-3-7(5-9(11)12)8(10)4-6/h2-4H,1,5H2,(H-,10,11,12)/p+1
InChIKey XKVZPZVLUILXQJ-UHFFFAOYSA-O
Ion Polarity P
Ionization Type ESI
SMILES OC=1C=C(C=CC1CC(O)=O)[CH2+]
Sample Comments The MWW Reference Handbook and associated table are attached to Record #1, under the Attachments tab. Refer to these references for the sample preparation procedure and abbreviations, as well as other relevant information pertaining to this database.
Sample Description Analyte Type: Metabolite
Source of Spectrum Maurer/Wissenbach/Weber, Saarland University
Spectrum Type ms3
Technique ITMS