Debug Info

object
{15}
_id
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5NVd0CmaKNf
spectrumID
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5NVd0CmaKNf
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specType
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131072
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dbLocation
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WMSR3X:19071:1
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MS (GC)
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Mass Spectrum (GC)
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compound
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Acetylsalicylic acid
SpectraBase Compound ID 7AZ8DZAeGid
InChI InChI=1S/C9H8O4/c1-6(10)13-8-5-3-2-4-7(8)9(11)12/h2-5H,1H3,(H,11,12)
InChIKey BSYNRYMUTXBXSQ-UHFFFAOYSA-N
Mol Weight 180.16 g/mol
Molecular Formula C9H8O4
Exact Mass 180.042259 g/mol
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Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5NVd0CmaKNf
Name Acetylsalicylic acid
Comments MONAID: JP003093
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C9H8O4
InChI InChI=1S/C9H8O4/c1-6(10)13-8-5-3-2-4-7(8)9(11)12/h2-5H,1H3,(H,11,12)
InChIKey BSYNRYMUTXBXSQ-UHFFFAOYSA-N
Ionization Type EI-B
SMILES OC(c1c(OC(C)=O)cccc1)=O
SPLASH splash10-00dl-9400000000-64327d3bef0063cf4fe1
Source of Spectrum SRH-2022-3093-0
Wiley ID 1825428
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