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Sebacic acid
SpectraBase Compound ID 7my9tylFDCh
InChI InChI=1S/C10H18O4/c11-9(12)7-5-3-1-2-4-6-8-10(13)14/h1-8H2,(H,11,12)(H,13,14)
InChIKey CXMXRPHRNRROMY-UHFFFAOYSA-N
Mol Weight 202.25 g/mol
Molecular Formula C10H18O4
Exact Mass 202.120509 g/mol

Mass Spectrum (LC)

Mass Spectrum (LC)

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SpectraBase Spectrum ID ACTT30hmua0
Name Sebacic acid
CAS Registry Number 111-20-6
Collision Energy 10 eV
Copyright Copyright © 2012-2025 Herbert Oberacher. All Rights Reserved.
Exact Mass 202.120509056 u
Formula C10H18O4
InChI InChI=1S/C10H18O4/c11-9(12)7-5-3-1-2-4-6-8-10(13)14/h1-8H2,(H,11,12)(H,13,14)
InChIKey CXMXRPHRNRROMY-UHFFFAOYSA-N
Instrument Name QStar XL, AB Sciex
Ion Polarity N
Ionization Type ESI-
Molecular Weight 202.250 g/mol
Nominal Mass 202 u
Precursor Ion [M-H]-
Precursor m/z 201.113
SMILES OC(CCCCCCCCC(O)=O)=O
Selected Ion Charge -1
Source of Spectrum Herbert Oberacher, Institute of Legal Medicine, Innsbruck/Austria
Spectrum Type ms2
Synonyms decanedioic acid
Technique Q-TOF
Wiley ID MSforID_-_139.1