Tetrazepam-M (di-HO-) isomer 1 MS2

SpectraBase Compound ID	CY9Iyni4gQA
InChI	InChI=1S/14C16H17ClN2O3/c21-19-12-4-3-10(17)7-11(12)16(18-8-15(19)22)9-2-5-13(20)14(21)6-9;21-19-13-5-2-9(17)6-12(13)16(18-8-15(19)22)11-4-3-10(20)7-14(11)21;21-19-13-4-2-9(17)6-11(13)16(18-8-15(19)22)12-7-10(20)3-5-14(12)21;1-19-14-3-2-10(17)6-13(14)16(18-8-15(19)22)9-4-11(20)7-12(21)5-9;1-19-13-3-2-11(17)8-12(13)15(18-9-14(19)20)10-4-6-16(21,22)7-5-10;21-19-13-5-4-11(17)7-12(13)15(18-9-14(19)20)10-3-2-6-16(21,22)8-10;1-19-11-6-5-9(17)7-10(11)16(18-8-14(19)22)15-12(20)3-2-4-13(15)21;2*1-19-12-6-5-9(17)7-11(12)15(18-8-14(19)21)10-3-2-4-13(20)16(10)22;1-19-13-6-5-10(17)8-11(13)15(18-9-14(19)20)12-4-2-3-7-16(12,21)22/h3-4,6-7,13-14,20-21H,2,5,8H2,1H3;2-4,7,13-14,20-21H,5-6,8H2,1H3;2,5-6,10,20-21H,3-4,7-8H2,1H3;2,4-6,10,14,20-21H,3,7-8H2,1H3;2,4,6,10,20-21H,3,5,7-8H2,1H3;2,4,6-7,10,14,20-21H,3,5,8H2,1H3;2-4,6,11-12,20-21H,5,7-8H2,1H3;2-4,8,21-22H,5-7,9H2,1H3;4-5,7-8,21-22H,2-3,6,9H2,1H3;3-5,7,21-22H,2,6,8-9H2,1H3;5-7,12,20-21H,2-4,8H2,1H3;5-7,13,20,22H,2-4,8H2,1H3;3,5-7,13,16,20,22H,2,4,8H2,1H3;4-6,8,21-22H,2-3,7,9H2,1H3
InChIKey	HXRVUGJATMAZSV-UHFFFAOYSA-N Google Search
Mol Weight	320.78 g/mol
Molecular Formula	C16H17ClN2O3
Exact Mass	320.09277 g/mol

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SpectraBase Spectrum ID	4RP0BtBdNO7
Name	Tetrazepam-M (di-HO-glucuronide) isomer 1 MS3_1
Comments	F: ITMS + c ESI d w Full ms3 [email protected] [email protected] [120.00-495.00]
Copyright	Copyright © 2018-2025 Wiley-VCH GmbH. All Rights Reserved.
Formula	C16H17ClN2O3
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