Dataset

Retinoic acid; LC-ESI-QTOF; MS2; CE: 10eV; R=7000; [M-H]-

This MassBank record with Accession MSBNK-Antwerp_Univ-METOX_N108826_9CB7 contains the MS2 mass spectrum of Retinoic acid with the InChIkey SHGAZHPCJJPHSC-YCNIQYBTSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C20H28O2/c1-15(8-6-9-16(2)14-19(21)22)11-12-18-17(3)10-7-13-20(18,4)5/h6,8-9,11-12,14H,7,10,13H2,1-5H3,(H,21,22)/b9-6+,12-11+,15-8+,16-14+
SMILES C\C(\C=C\C1=C(C)CCCC1(C)C)=C/C=C/C(/C)=C/C(O)=O
InChI Key SHGAZHPCJJPHSC-YCNIQYBTSA-N
Molecular Formula C20H28O2
Exact Mass 300.209 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-Antwerp_Univ-METOX_N108826_9CB7
Version
Author
Maintainer
Language
MetadataPublished 2022-04-09
Related Molecule
  • (2E,4E,6E,8E)-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraenoic acid
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    DB00755 drugbank
    CHEBI:15367 chebi
    LMPR01090019 lipidmaps
    3KV rcsb_pdb
    REA rcsb_pdb
    CHEMBL38 chembl
    3145 surechembl
    444795 pubchem
    5688UTC01R fdasrs
    PD001430 probes_and_drugs
    VITAAC CCDC
    12679 brenda
    193381 brenda
    21231 brenda
    2354 brenda
    260365 brenda
    5126 brenda
    6481 brenda
    HMDB0001852 hmdb
    50005679 bindingdb
    50005686 bindingdb
    50005689 bindingdb
    50005705 bindingdb
    50005706 bindingdb
    50006939 bindingdb
    50006940 bindingdb
    50006973 bindingdb
    50006987 bindingdb
    50006988 bindingdb
    50006990 bindingdb
    50016001 bindingdb
    50016005 bindingdb
    50018276 bindingdb
    50018279 bindingdb
    50018281 bindingdb
    50021939 bindingdb
    50021943 bindingdb
    50021946 bindingdb
    50021948 bindingdb
    50021951 bindingdb
    50037880 bindingdb
    50037883 bindingdb
    50037886 bindingdb
    50037899 bindingdb
    50037905 bindingdb
    50037910 bindingdb
    50039880 bindingdb
    50041039 bindingdb
    50041040 bindingdb
    50042776 bindingdb
    50042779 bindingdb
    50042780 bindingdb
    50042811 bindingdb
    50042812 bindingdb
    50044707 bindingdb
    50044709 bindingdb
    50044710 bindingdb
    50044713 bindingdb
    50044811 bindingdb
    50044813 bindingdb
    50044814 bindingdb
    50047640 bindingdb
    50047644 bindingdb
    50047646 bindingdb
    50047647 bindingdb
    50047652 bindingdb
    50047661 bindingdb
    50047670 bindingdb
    50047671 bindingdb
    50047692 bindingdb
    50047694 bindingdb
    50048978 bindingdb
    50048982 bindingdb
    50048993 bindingdb
    50049001 bindingdb
    50050034 bindingdb
    50050041 bindingdb
    50050065 bindingdb
    50052117 bindingdb
    50052134 bindingdb
    50052135 bindingdb
    50054838 bindingdb
    50063741 bindingdb
    50070922 bindingdb
    50070927 bindingdb
    50070928 bindingdb
    50070939 bindingdb
    50070951 bindingdb
    50070956 bindingdb
    50072639 bindingdb
    50072640 bindingdb
    50072648 bindingdb
    50072651 bindingdb
    50084301 bindingdb
    50084309 bindingdb
    50084322 bindingdb
    50085226 bindingdb
    50085228 bindingdb
    50085229 bindingdb
    50085237 bindingdb
    50085254 bindingdb
    50085258 bindingdb
    50086310 bindingdb
    50086314 bindingdb
    50086315 bindingdb
    50087459 bindingdb
    50087461 bindingdb
    50087474 bindingdb
    50087482 bindingdb
    50087487 bindingdb
    50087488 bindingdb
    50087493 bindingdb
    50087495 bindingdb
    50087502 bindingdb
    50087508 bindingdb
    50087520 bindingdb
    50087530 bindingdb
    50087669 bindingdb
    50087673 bindingdb
    50087675 bindingdb
    50087690 bindingdb
    50087710 bindingdb
    50087723 bindingdb
    50091831 bindingdb
    50091834 bindingdb
    50091844 bindingdb
    50104478 bindingdb
    50104485 bindingdb
    50104489 bindingdb
    50104500 bindingdb
    50104502 bindingdb
    50104509 bindingdb
    50109812 bindingdb
    50109816 bindingdb
    50109827 bindingdb
    50109837 bindingdb
    50109849 bindingdb
    50130842 bindingdb
    50130877 bindingdb
    50130879 bindingdb
    50130921 bindingdb
    50130922 bindingdb
    50130923 bindingdb
    50130925 bindingdb
    50130926 bindingdb
    50130941 bindingdb
    50146074 bindingdb
    50146082 bindingdb
    50146088 bindingdb
    50146094 bindingdb
    50146102 bindingdb
    50146112 bindingdb
    50155082 bindingdb
    50155083 bindingdb
    50155084 bindingdb
    50155085 bindingdb
    50155086 bindingdb
    50155087 bindingdb
    50175739 bindingdb
    50175748 bindingdb
    50175755 bindingdb
    50175765 bindingdb
    50182447 bindingdb
    50211357 bindingdb
    50211359 bindingdb
    50211360 bindingdb
    50217446 bindingdb
    50217447 bindingdb
    50217451 bindingdb
    50221545 bindingdb
    50221555 bindingdb
    50221559 bindingdb
    50221563 bindingdb
    50221567 bindingdb
    50221582 bindingdb
    50221603 bindingdb
    50243453 bindingdb
    50243457 bindingdb
    50243461 bindingdb
    50243465 bindingdb
    50265702 bindingdb
    50290791 bindingdb
    50290804 bindingdb
    50322332 bindingdb
    50443263 bindingdb
    50443273 bindingdb
    50443283 bindingdb
    50468137 bindingdb
    50468140 bindingdb
    50468151 bindingdb
    50468867 bindingdb
    50474925 bindingdb
    50474929 bindingdb
    50474940 bindingdb
    50474953 bindingdb
    50474956 bindingdb
    50474970 bindingdb
    50476033 bindingdb
    50476044 bindingdb
    50476054 bindingdb
    50476062 bindingdb
    50478851 bindingdb
    50478857 bindingdb
    50478868 bindingdb
    50478870 bindingdb
    50478884 bindingdb
    50478892 bindingdb
    50483465 bindingdb
    50483471 bindingdb
    50483631 bindingdb
    50483636 bindingdb
    50567747 bindingdb
    50754544 bindingdb
    50772719 bindingdb
    50774676 bindingdb
    50775899 bindingdb
    50776079 bindingdb
    50981319 bindingdb
    50981320 bindingdb
    50993665 bindingdb
    50993666 bindingdb
    50993667 bindingdb
    51009198 bindingdb
    51009199 bindingdb
    51009227 bindingdb
    51009228 bindingdb
    51068134 bindingdb
    51112075 bindingdb
    51112076 bindingdb
    51112077 bindingdb
    51112085 bindingdb
    51122338 bindingdb
    51122348 bindingdb
    51122351 bindingdb
    51124490 bindingdb
    51149925 bindingdb
    51149930 bindingdb
    51149932 bindingdb
    51160684 bindingdb
    51160687 bindingdb
    51284510 bindingdb
    51284579 bindingdb
    51284637 bindingdb
    51284667 bindingdb
    51284750 bindingdb
    51291172 bindingdb
    51291182 bindingdb
    51291183 bindingdb
    51303599 bindingdb
    51303624 bindingdb
    51303625 bindingdb
    51303632 bindingdb
    51303750 bindingdb
    51303790 bindingdb
    51366232 bindingdb
    51368466 bindingdb
    51368490 bindingdb
    51400062 bindingdb
    51525155 bindingdb
    51538700 bindingdb
    57453 bindingdb
    57463 bindingdb
    57473 bindingdb
    62576 bindingdb
    64680 bindingdb
    64685 bindingdb
    64686 bindingdb
    67311 bindingdb
    68054 bindingdb
    68562 bindingdb
    70827 bindingdb
    71892 bindingdb
    71950 bindingdb
    72008 bindingdb
    72066 bindingdb
    72124 bindingdb
    74326 bindingdb
    Molport-000-883-857 molport
    2722 drugcentral
    The data in this table is sourced from UniChem at EBI.