Cumyl-PICA-M (N-dealkyl-HO-) MS3_1

SpectraBase Compound ID	1hgMWfrLLbv
InChI	InChI=1S/4C9H8N2O2/c10-9(13)7-4-11-8-2-1-5(12)3-6(7)8;10-9(13)7-4-11-8-3-5(12)1-2-6(7)8;10-9(13)5-4-11-6-2-1-3-7(12)8(5)6;10-9(13)6-4-11-8-5(6)2-1-3-7(8)12/h4*1-4,11-12H,(H2,10,13)/p+4
InChIKey	CUHWEURSNATSDY-UHFFFAOYSA-R Google Search
Mol Weight	177.18 g/mol
Molecular Formula	C9H9N2O2
Exact Mass	177.066403 g/mol

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SpectraBase Spectrum ID	Ln83pF18LNR
Name	Cumyl-PICA-M (N-dealkyl-HO-) MS3_1
Comments	T: ITMS + c ESI d w Full ms3 [email protected] [email protected] [50.00-190.00]
Copyright	Copyright © 2018-2025 Wiley-VCH GmbH. All Rights Reserved.
Formula	C9H9N2O2
Ion Polarity	P
Ionization Type	ESI
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