Debug Info

object
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_id
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4BOXBMPLkdn
spectrumID
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4BOXBMPLkdn
cost
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1
specType
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131072
xnmrNucleus
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dbLocation
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WMS3X:65851:1
hasStructureAssignments
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properties
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analyticalTechnique
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MS (GC)
analyticalTechniqueLongName
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Mass Spectrum (GC)
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spectralOutlier
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compound
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1735074081058
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6H-Purin-6-one, 2-amino-3,7-dihydro-3-methyl-
SpectraBase Compound ID KKqyzsxsxb7
InChI InChI=1S/C6H7N5O/c1-11-4-3(8-2-9-4)5(12)10-6(11)7/h2H,1H3,(H,8,9)(H2,7,10,12)
InChIKey XHBSBNYEHDQRCP-UHFFFAOYSA-N
Mol Weight 165.16 g/mol
Molecular Formula C6H7N5O
Exact Mass 165.06506 g/mol
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Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4BOXBMPLkdn
Name 6H-Purin-6-one, 2-amino-3,7-dihydro-3-methyl-
CAS Registry Number 2958-98-7
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C6H7N5O
InChI InChI=1S/C6H7N5O/c1-11-4-3(8-2-9-4)5(12)10-6(11)7/h2H,1H3,(H,8,9)(H2,7,10,12)
InChIKey XHBSBNYEHDQRCP-UHFFFAOYSA-N
Molecular Weight 165.156 g/mol
SMILES N1C(c2c(N(C1=N)C)nc[nH]2)=O
SPLASH splash10-014l-9500000000-7a1a48f78df6cd03b618
Source of Spectrum C-89-2720-1
Synonyms 2-Amino-3-methyl-3,7-dihydro-6H-purin-6-one 2-Amino-3,7-dihydro-3-methyl-6H-purin-6-one 2-Amino-3-methyl-7H-purin-6-one 2-Azanyl-3-methyl-7H-purin-6-one 3-Methylguanine Guanine, 3-methyl- N3-Methylguanine EINECS 220-988-9 NSC 62622
Wiley ID 13976
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