Dataset

PCB 28; GC-APCI-QTOF; MS2; CE: 30 eV; R=35000; [M+H]+

This MassBank record with Accession MSBNK-Athens_Univ-AU592603 contains the MS2 mass spectrum of PCB 28 with the InChIkey BZTYNSQSZHARAZ-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C12H7Cl3/c13-9-3-1-8(2-4-9)11-6-5-10(14)7-12(11)15/h1-7H
SMILES ClC1=CC=C(C=C1)C1=C(Cl)C=C(Cl)C=C1
InChI Key BZTYNSQSZHARAZ-UHFFFAOYSA-N
Molecular Formula C12H7Cl3
Exact Mass 255.961 g/mol

Data and Resources

Metadata Information

Field Value
DOI
License URL https://creativecommons.org/licenses/by/4.0
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Athens_Univ-AU592603
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Maintainer
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MetadataPublished 2019-11-21
Related Molecule
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    500463 eMolecules
    PD162890 ProbesDrugs
    844ODP31Q0 FDA SRS
    SCHEMBL2933108 SureChEMBL
    23448 PubChem
    7012-37-5 ACToR
    15196947 PubChem: Thomson Pharma
    144390 Brenda
    ZINC000002029667 ZINC
    HMDB0245472 Human Metabolome Database
    J147.962H Nikkaji
    DTXSID2038310 EPA CompTox Dashboard
    20096472 NMRShiftDB
    The data in this table is sourced from UniChem at EBI.