Dataset

Efavirenz; LC-ESI-QFT; MS2; CE: 75; R=35000; [M+H]+

This MassBank record with Accession MSBNK-Eawag-EQ329205 contains the MS2 mass spectrum of Efavirenz with the InChIkey XPOQHMRABVBWPR-ZDUSSCGKSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C14H9ClF3NO2/c15-9-3-4-11-10(7-9)13(14(16,17)18,21-12(20)19-11)6-5-8-1-2-8/h3-4,7-8H,1-2H2,(H,19,20)/t13-/m0/s1
SMILES C1CC1C#C[C@]2(C3=C(C=CC(=C3)Cl)NC(=O)O2)C(F)(F)F
InChI Key XPOQHMRABVBWPR-ZDUSSCGKSA-N
Molecular Formula C14H9ClF3NO2
Exact Mass 315.027 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-Eawag-EQ329205
Version
Author
Maintainer
Language
MetadataPublished 2015-08-25
Related Molecule
  • (4S)-6-chloro-4-(2-cyclopropylethynyl)-4-(trifluoromethyl)-1H-3,1-benzoxazin-2-one
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    DB00625 drugbank
    CHEBI:119486 chebi
    EFZ rcsb_pdb
    CHEMBL223228 chembl
    37762 surechembl
    64139 pubchem
    JE6H2O27P8 fdasrs
    EFZ pdbe
    PD003010 probes_and_drugs
    AJEYAQ CCDC
    1704 brenda
    186543 brenda
    42381 brenda
    HMDB0014763 hmdb
    DTXSID9046029 comptox
    NCT00000885 clinicaltrials
    NCT00000893 clinicaltrials
    NCT00000903 clinicaltrials
    NCT00000912 clinicaltrials
    NCT00000918 clinicaltrials
    NCT00000939 clinicaltrials
    NCT00001086 clinicaltrials
    NCT00001087 clinicaltrials
    NCT00001122 clinicaltrials
    NCT00001758 clinicaltrials
    NCT00001766 clinicaltrials
    NCT00002213 clinicaltrials
    NCT00002220 clinicaltrials
    NCT00002225 clinicaltrials
    NCT00002227 clinicaltrials
    NCT00002230 clinicaltrials
    NCT00002234 clinicaltrials
    NCT00002235 clinicaltrials
    NCT00002239 clinicaltrials
    NCT00002362 clinicaltrials
    NCT00002393 clinicaltrials
    NCT00002419 clinicaltrials
    NCT00002447 clinicaltrials
    NCT00002448 clinicaltrials
    NCT00004582 clinicaltrials
    NCT00004585 clinicaltrials
    NCT00004852 clinicaltrials
    NCT00005000 clinicaltrials
    NCT00005017 clinicaltrials
    NCT00005018 clinicaltrials
    NCT00005918 clinicaltrials
    NCT00006154 clinicaltrials
    NCT00006190 clinicaltrials
    NCT00006208 clinicaltrials
    NCT00011895 clinicaltrials
    NCT00013520 clinicaltrials
    NCT00013897 clinicaltrials
    NCT00016718 clinicaltrials
    NCT00017758 clinicaltrials
    NCT00021463 clinicaltrials
    NCT00023413 clinicaltrials
    NCT00028327 clinicaltrials
    NCT00031070 clinicaltrials
    NCT00038220 clinicaltrials
    NCT00038532 clinicaltrials
    NCT00039741 clinicaltrials
    NCT00042289 clinicaltrials
    NCT00050895 clinicaltrials
    NCT00053638 clinicaltrials
    NCT00074581 clinicaltrials
    NCT00075231 clinicaltrials
    NCT00075907 clinicaltrials
    NCT00084136 clinicaltrials
    NCT00098293 clinicaltrials
    NCT00100048 clinicaltrials
    NCT00102960 clinicaltrials
    NCT00110305 clinicaltrials
    NCT00112047 clinicaltrials
    NCT00115609 clinicaltrials
    NCT00116116 clinicaltrials
    NCT00116298 clinicaltrials
    NCT00118898 clinicaltrials
    NCT00121017 clinicaltrials
    NCT00122538 clinicaltrials
    NCT00127959 clinicaltrials
    NCT00127972 clinicaltrials
    NCT00135343 clinicaltrials
    NCT00135369 clinicaltrials
    NCT00135382 clinicaltrials
    NCT00158405 clinicaltrials
    NCT00158457 clinicaltrials
    NCT00158470 clinicaltrials
    NCT00158821 clinicaltrials
    NCT00162097 clinicaltrials
    NCT00162643 clinicaltrials
    NCT00192595 clinicaltrials
    NCT00192660 clinicaltrials
    NCT00196599 clinicaltrials
    NCT00196612 clinicaltrials
    NCT00197613 clinicaltrials
    NCT00197613 clinicaltrials
    NCT00224458 clinicaltrials
    NCT00234091 clinicaltrials
    NCT00256828 clinicaltrials
    NCT00260078 clinicaltrials
    NCT00266058 clinicaltrials
    NCT00280969 clinicaltrials
    NCT00299091 clinicaltrials
    NCT00302822 clinicaltrials
    NCT00307502 clinicaltrials
    NCT00314626 clinicaltrials
    NCT00332306 clinicaltrials
    NCT00335322 clinicaltrials
    NCT00342355 clinicaltrials
    NCT00344760 clinicaltrials
    NCT00350272 clinicaltrials
    NCT00357188 clinicaltrials
    NCT00364793 clinicaltrials
    NCT00365612 clinicaltrials
    NCT00369941 clinicaltrials
    NCT00386659 clinicaltrials
    NCT00398996 clinicaltrials
    NCT00399685 clinicaltrials
    NCT00427297 clinicaltrials
    NCT00428116 clinicaltrials
    NCT00433056 clinicaltrials
    NCT00442962 clinicaltrials
    NCT00444379 clinicaltrials
    NCT00454337 clinicaltrials
    NCT00454337 clinicaltrials
    NCT00457665 clinicaltrials
    NCT00474435 clinicaltrials
    NCT00476424 clinicaltrials
    NCT00482963 clinicaltrials
    NCT00483054 clinicaltrials
    NCT00495326 clinicaltrials
    NCT00523458 clinicaltrials
    NCT00532168 clinicaltrials
    NCT00533390 clinicaltrials
    NCT00540449 clinicaltrials
    NCT00543725 clinicaltrials
    NCT00545558 clinicaltrials
    NCT00549198 clinicaltrials
    NCT00549198 clinicaltrials
    NCT00556634 clinicaltrials
    NCT00573001 clinicaltrials
    NCT00615745 clinicaltrials
    NCT00615810 clinicaltrials
    NCT00615810 clinicaltrials
    NCT00620438 clinicaltrials
    NCT00624195 clinicaltrials
    NCT00640887 clinicaltrials
    NCT00643968 clinicaltrials
    NCT00643968 clinicaltrials
    NCT00697892 clinicaltrials
    NCT00727597 clinicaltrials
    NCT00730223 clinicaltrials
    NCT00744809 clinicaltrials
    NCT00752856 clinicaltrials
    NCT00759070 clinicaltrials
    NCT00775606 clinicaltrials
    NCT00792324 clinicaltrials
    NCT00802802 clinicaltrials
    NCT00810303 clinicaltrials
    NCT00822315 clinicaltrials
    NCT00824421 clinicaltrials
    NCT00828789 clinicaltrials
    NCT00836212 clinicaltrials
    NCT00862823 clinicaltrials
    NCT00869557 clinicaltrials
    NCT00870363 clinicaltrials
    NCT00878306 clinicaltrials
    NCT00903682 clinicaltrials
    NCT00924898 clinicaltrials
    NCT00936195 clinicaltrials
    NCT00946595 clinicaltrials
    NCT00951015 clinicaltrials
    NCT00960570 clinicaltrials
    NCT00964002 clinicaltrials
    NCT00964171 clinicaltrials
    NCT00966160 clinicaltrials
    NCT00978068 clinicaltrials
    NCT00978237 clinicaltrials
    NCT00984152 clinicaltrials
    NCT00992069 clinicaltrials
    NCT00993031 clinicaltrials
    NCT01011413 clinicaltrials
    NCT01014481 clinicaltrials
    NCT01040091 clinicaltrials
    NCT01049685 clinicaltrials
    NCT01075152 clinicaltrials
    NCT01087814 clinicaltrials
    NCT01095796 clinicaltrials
    NCT01098526 clinicaltrials
    NCT01127204 clinicaltrials
    NCT01146873 clinicaltrials
    NCT01147107 clinicaltrials
    NCT01160120 clinicaltrials
    NCT01173510 clinicaltrials
    NCT01174914 clinicaltrials
    NCT01187862 clinicaltrials
    NCT01192035 clinicaltrials
    NCT01194856 clinicaltrials
    NCT01231555 clinicaltrials
    NCT01241773 clinicaltrials
    NCT01241773 clinicaltrials
    NCT01254656 clinicaltrials
    NCT01263015 clinicaltrials
    NCT01268839 clinicaltrials
    NCT01270802 clinicaltrials
    NCT01271894 clinicaltrials
    NCT01338883 clinicaltrials
    NCT01340950 clinicaltrials
    NCT01343225 clinicaltrials
    NCT01352117 clinicaltrials
    NCT01380080 clinicaltrials
    NCT01435018 clinicaltrials
    NCT01445223 clinicaltrials
    NCT01451333 clinicaltrials
    NCT01472380 clinicaltrials
    NCT01489046 clinicaltrials
    NCT01515813 clinicaltrials
    NCT01516060 clinicaltrials
    NCT01516970 clinicaltrials
    NCT01565889 clinicaltrials
    NCT01571414 clinicaltrials
    NCT01585038 clinicaltrials
    NCT01588002 clinicaltrials
    NCT01618305 clinicaltrials
    NCT01632345 clinicaltrials
    NCT01632891 clinicaltrials
    NCT01641016 clinicaltrials
    NCT01641809 clinicaltrials
    NCT01668147 clinicaltrials
    NCT01690403 clinicaltrials
    NCT01695954 clinicaltrials
    NCT01704898 clinicaltrials
    NCT01709084 clinicaltrials
    NCT01714414 clinicaltrials
    NCT01751555 clinicaltrials
    NCT01778413 clinicaltrials
    NCT01789879 clinicaltrials
    NCT01805258 clinicaltrials
    NCT01837277 clinicaltrials
    NCT01878890 clinicaltrials
    NCT01900015 clinicaltrials
    NCT01903031 clinicaltrials
    NCT01935830 clinicaltrials
    NCT01978743 clinicaltrials
    NCT01980342 clinicaltrials
    NCT01989910 clinicaltrials
    NCT02057796 clinicaltrials
    NCT02164812 clinicaltrials
    NCT02178592 clinicaltrials
    NCT02226991 clinicaltrials
    NCT02245022 clinicaltrials
    NCT02253823 clinicaltrials
    NCT02273765 clinicaltrials
    NCT02283060 clinicaltrials
    NCT02284035 clinicaltrials
    NCT02284035 clinicaltrials
    NCT02285374 clinicaltrials
    NCT02302547 clinicaltrials
    NCT02401256 clinicaltrials
    NCT02415595 clinicaltrials
    NCT02421289 clinicaltrials
    NCT02447016 clinicaltrials
    NCT02475915 clinicaltrials
    NCT02489461 clinicaltrials
    NCT02499874 clinicaltrials
    NCT02547844 clinicaltrials
    NCT02556268 clinicaltrials
    NCT02631473 clinicaltrials
    NCT02631473 clinicaltrials
    NCT02632474 clinicaltrials
    NCT02722421 clinicaltrials
    NCT02750059 clinicaltrials
    NCT02777229 clinicaltrials
    NCT02832778 clinicaltrials
    NCT02935075 clinicaltrials
    NCT02945163 clinicaltrials
    NCT03048422 clinicaltrials
    NCT03122262 clinicaltrials
    NCT03178084 clinicaltrials
    NCT03249181 clinicaltrials
    NCT03309566 clinicaltrials
    NCT03532425 clinicaltrials
    NCT03595709 clinicaltrials
    NCT03762928 clinicaltrials
    NCT03983239 clinicaltrials
    NCT04022967 clinicaltrials
    NCT04296695 clinicaltrials
    NCT04303598 clinicaltrials
    NCT04390334 clinicaltrials
    NCT04424264 clinicaltrials
    NCT04424264 clinicaltrials
    NCT04459598 clinicaltrials
    NCT04504045 clinicaltrials
    NCT04513379 clinicaltrials
    NCT04680091 clinicaltrials
    NCT04973020 clinicaltrials
    NCT05067439 clinicaltrials
    NCT05076682 clinicaltrials
    NCT05141422 clinicaltrials
    NCT05330273 clinicaltrials
    NCT05560360 clinicaltrials
    NCT05789173 clinicaltrials
    NCT05909644 clinicaltrials
    NCT05995249 clinicaltrials
    Molport-003-983-924 molport
    Molport-051-608-175 molport
    989 drugcentral
    2483 bindingdb
    The data in this table is sourced from UniChem at EBI.