Advanced search

Order by Relevance Name Ascending Name Descending Last Modified Popular Go

23,294 molecules found

Filter Results

• nfdi4chem-mol24859(Unknown Molecule) Molecule

  InChIKey	HJWMMUBGTHVMFN-VPCUEIIDSA-N
  Molecular Formula	C49H81O13P

  

  
  

  Related Dataset(s)

  • Phosphatidylinositol 18:1-22:6; LC-ESI-ITFT; MS2; [M-H]-; RT: 12.03; Exp: 3
  • Phosphatidylinositol 18:1-22:6; LC-ESI-ITFT; MS2; [M-H]-; RT: 12.03; Exp: 2
  • Phosphatidylinositol 18:1-22:6; LC-ESI-ITFT; MS2; [M-H]-; RT: 12.03; Exp: 1

• nfdi4chem-mol24871(Unknown Molecule) Molecule

  InChIKey	ZPTLDAKBBBVLKH-HRFXNPMVSA-N
  Molecular Formula	C40H54O4

  

  
  

  Related Dataset(s)

  • 4-Keto-deepoxyneoxanthin; FAB-EBEB; MS2; m/z: 598.40; [M]*+

• nfdi4chem-mol24882(Unknown Molecule) Molecule

  InChIKey	WWOZYODFTOAQNT-UHFFFAOYSA-N
  Molecular Formula	C9H18OSi

  

  
  

  Related Dataset(s)

  • BUTYL(TRIMETHYLSILYL)KETENE; EI-B; MS

• nfdi4chem-mol2505 (Unknown Molecule) Molecule

  InChIKey	OOXACMCOHFJPIU-PWNOKTKGSA-N
  Molecular Formula	C88H54Fe2N8O

  

  
  

  Related Dataset(s)

  • infrared absorption spectroscopy (IR)
  • mass spectrometry (MS)

• nfdi4chem-mol2523 (Unknown Molecule) Molecule

  InChIKey	FMENTXWLFCBOIS-UDWIEESQSA-N
  Molecular Formula	C18H18N4O3S2

  

  
  

  Related Dataset(s)

  • infrared absorption spectroscopy (IR)
  • 1H nuclear magnetic resonance spectroscopy (1H NMR)
  • mass spectrometry (MS)
  • 13C nuclear magnetic resonance spectroscopy (13C NMR)

• nfdi4chem-mol2528(Unknown Molecule) Molecule

  InChIKey	IUIWKULRUPRNEN-VHEBQXMUSA-N
  Molecular Formula	C16H14N4O2S

  

  
  

  Related Dataset(s)

  • 2-(2-BENZOTHIAZOLYL)AZO-4-(N,N-DIMETHYL)AMINOBENZOIC ACID; EI-B; MS

• nfdi4chem-mol2533 (Unknown Molecule) Molecule

  InChIKey	RYLVZXZNMTZICA-XNTDXEJSSA-N

  

  
  

  Related Dataset(s)

  • SI_Outreach_4_2F_E_2nd_colum_lime_06012024_FULL[14]
  • SI_Outreach_4_2F_E_2nd_colum_lime_06012024_FULL[15]
  • SI_Outreach_4_2F_E_2nd_column_lime_05312024_FULL[16]
  • SI_Outreach_4_2F_C_2nd_column_lime_05312024[1]
  • 0_REAL_LIME_COUMARIN_NMR_LIME_COUMARIN_THIX-029C4B_3rd_col_mystery_cmpd_lime_peels_extract_06102024_FULL[20]
  • 0_REAL_LIME_COUMARIN_NMR_LIME_COUMARIN_THIX-029C4B_3rd_col_mystery_cmpd_lime_peels_extract_06102024_FULL[19]
  • 0_REAL_LIME_COUMARIN_NMR_LIME_COUMARIN_THIX-029C4B_3rd_col_mystery_cmpd_lime_peels_extract_06102024_FULL[21]
  • SI_Outreach_4_2F_E_2nd_column_lime_05312024[1]
  • SI_Outreach_4_2F_E_2nd_column_lime_05312024_FULL[13]
  • SI_Outreach_4_2F_E_2nd_colum_lime_06012024_FULL[17]
  • SI_Outreach_4_2F_E_2nd_column_lime_05312024_FULL[14]
  • SI_Outreach_4_2F_E_2nd_column_lime_05312024_FULL[18]
  • SI_Outreach_4_2F_E_2nd_column_lime_05312024_FULL[15]
  • SI_Outreach_4_2F_E_2nd_colum_lime_06012024_FULL[13]
  • 0_REAL_LIME_COUMARIN_NMR_LIME_COUMARIN_THIX-029C4B_3rd_col_mystery_cmpd_lime_peels_extract_06102024_FULL[16]
  • SI_Outreach_4_2F_E_2nd_colum_lime_06012024_FULL[18]
  • 0_REAL_LIME_COUMARIN_NMR_LIME_COUMARIN_THIX-029C4B_3rd_col_mystery_cmpd_lime_peels_extract_06102024_FULL[18]
  • 0_REAL_LIME_COUMARIN_NMR_LIME_COUMARIN_THIX-029C4B_3rd_col_mystery_cmpd_lime_peels_extract_06102024_FULL[15]
  • SI_Outreach_4_2F_E_2nd_column_lime_05312024_FULL[17]
  • 0_REAL_LIME_COUMARIN_NMR_LIME_COUMARIN_THIX-029C4B_3rd_col_mystery_cmpd_lime_peels_extract_06102024_FULL[17]
  • SI_Outreach_4_2F_E_2nd_colum_lime_06012024_FULL[16]

• nfdi4chem-mol2539 (Unknown Molecule) Molecule

  InChIKey	ADTLMTMRZNXYOP-FMQUCBEESA-N
  Molecular Formula	C18H18N2OS2

  

  
  

  Related Dataset(s)

  • 13C nuclear magnetic resonance spectroscopy (13C NMR)
  • Raman spectroscopy (Raman spectrometry)
  • 1H nuclear magnetic resonance spectroscopy (1H NMR)
  • electron ionisation mass spectrometry (EI-MS)
  • thin-layer chromatography (TLC)
  • infrared absorption spectroscopy (IR)
  • ultraviolet-visible spectrophotometry (UV-VIS)

• nfdi4chem-mol25451(Unknown Molecule) Molecule

  InChIKey	MZRKINSTWYZJLV-OUKQBFOZSA-N
  Molecular Formula	C10H9N3OS

  

  
  

  Related Dataset(s)

  • 2-(2-THIAZOLYLAZO)-PARA-CRESOL; EI-B; MS

• nfdi4chem-mol2550 (Unknown Molecule) Molecule

  InChIKey	ZRZAXBQMXJNDSC-UHFFFAOYSA-N
  Molecular Formula	C10H14Pt

  

  
  

  Related Dataset(s)

  • thin-layer chromatography (TLC)
  • 13C nuclear magnetic resonance spectroscopy (13C NMR)
  • 1H nuclear magnetic resonance spectroscopy (1H NMR)

• nfdi4chem-mol2560 (Unknown Molecule) Molecule

  InChIKey	BMNLXKVRGRRHKW-UHFFFAOYSA-N
  Molecular Formula	C14H9N3

  

  
  

  Related Dataset(s)

  • 1H nuclear magnetic resonance spectroscopy (1H NMR)
  • 13C nuclear magnetic resonance spectroscopy (13C NMR)
  • process

• nfdi4chem-mol2561 (Unknown Molecule) Molecule

  InChIKey	QPGWYAYYZXDARJ-UHFFFAOYSA-N
  Molecular Formula	C25H30

  

  
  

  Related Dataset(s)

  • correlation spectroscopy (COSY)
  • electrospray ionisation quadrupole detection (ESI Q Trap)
  • distortionless enhancement with polarization transfer (DEPT)
  • distortionless enhancement with polarization transfer (DEPT)
  • 13C nuclear magnetic resonance spectroscopy (13C NMR)
  • 1H nuclear magnetic resonance spectroscopy (1H NMR)
  • heteronuclear single quantum coherence (HSQC)
  • infrared absorption spectroscopy (IR)
  • heteronuclear multiple bond coherence (HMBC)

• nfdi4chem-mol25668(Unknown Molecule) Molecule

  InChIKey	QPQKUYVSJWQSDY-CCEZHUSRSA-N
  Molecular Formula	C12H11N3

  

  
  

  Related Dataset(s)

  • 4-Aminoazobenzene; LC-ESI-ITFT; MS2; CE: 55; R=15000; [M+H]+
  • 4-Aminoazobenzene; LC-ESI-ITFT; MS2; CE: 80; R=15000; [M+H]+
  • Aniline Yellow; LC-ESI-ITFT; MS2; CE: 10%; R=15000; [M+H]+
  • Aniline Yellow; LC-ESI-QTOF; MS2; CE: 50 eV; R=35000; [M+H]+
  • Aniline Yellow; LC-ESI-QTOF; MS2; CE: 40 eV; R=35000; [M+H]+
  • 4-Aminoazobenzene; LC-ESI-ITFT; MS2; CE: 55; R=15000; [M+H]+
  • Aniline Yellow; LC-ESI-ITFT; MS2; CE: 30%; R=15000; [M+H]+
  • 4-Aminoazobenzene; LC-ESI-ITFT; MS2; CE: 35; R=15000; [M+H]+
  • Aniline Yellow; LC-ESI-QTOF; MS2; CE: Ramp 17.9-26.9 eV; R=35000; [M+H]+
  • Aniline Yellow; LC-ESI-QTOF; MS2; CE: 10 eV; R=35000; [M+H]+
  • Aniline Yellow; LC-ESI-ITFT; MS2; CE: 20%; R=15000; [M+H]+
  • Aniline Yellow; LC-ESI-QTOF; MS2; CE: 20 eV; R=35000; [M+H]+
  • Aniline Yellow; LC-ESI-QTOF; MS2; CE: 30 eV; R=35000; [M+H]+

• nfdi4chem-mol2571 (Unknown Molecule) Molecule

  InChIKey	MZTWJEOSKWZEIV-GHVJWSGMSA-N
  Molecular Formula	C20H13ClN2O4

  

  
  

  Related Dataset(s)

  • mass spectrometry (MS)
  • infrared absorption spectroscopy (IR)
  • 1H nuclear magnetic resonance spectroscopy (1H NMR)
  • 13C nuclear magnetic resonance spectroscopy (13C NMR)

• nfdi4chem-mol2579 (Unknown Molecule) Molecule

  InChIKey	CUNFKUBXPYTROU-NMLBUPMWSA-N

  

  
  

  Related Dataset(s)

  • synthetic peptide amide LDLD[11]
  • synthetic peptide amide LDLD[13]
  • synthetic peptide amide LDLD[10]
  • synthetic peptide amide LDLD[12]

• nfdi4chem-mol2581 (Unknown Molecule) Molecule

  InChIKey	LHFPQMMFFCOAMM-QURGRASLSA-N
  Molecular Formula	C14H17F5IN3

  

  
  

  Related Dataset(s)

  • thin-layer chromatography (TLC)
  • infrared absorption spectroscopy (IR)
  • electron ionisation mass spectrometry (EI-MS)
  • 13C nuclear magnetic resonance spectroscopy (13C NMR)
  • 1H nuclear magnetic resonance spectroscopy (1H NMR)

• nfdi4chem-mol2582 (Unknown Molecule) Molecule

  InChIKey	ZMGYDKIQPMHMEG-UGYLPVGZSA-N
  Molecular Formula	C35H43Cl3INO15

  

  
  

  Related Dataset(s)

  • infrared absorption spectroscopy (IR)

• nfdi4chem-mol2584 (Unknown Molecule) Molecule

  InChIKey	OONSYTDBEUQPGN-MDWZMJQESA-N
  Molecular Formula	C11H14ClN

  

  
  

  Related Dataset(s)

  • electron ionisation mass spectrometry (EI-MS)
  • 13C nuclear magnetic resonance spectroscopy (13C NMR)
  • 1H nuclear magnetic resonance spectroscopy (1H NMR)

• nfdi4chem-mol25945(Unknown Molecule) Molecule

  InChIKey	PGYAYSRVSAJXTE-CLONMANBSA-N
  Molecular Formula	C40H56O4

  

  
  

  Related Dataset(s)

  • Neoxanthin; FAB-EBEB; MS2; m/z: 600.42; [M]+*

• nfdi4chem-mol2597 (Unknown Molecule) Molecule

  InChIKey	XCPVCOIUXOXJAK-UHFFFAOYSA-N
  Molecular Formula	C18H15FO

  

  
  

  Related Dataset(s)

  • high-resolution electrospray ionisation mass spectrometry (HRESIMS)
  • 1H nuclear magnetic resonance spectroscopy (1H NMR)
  • 13C nuclear magnetic resonance spectroscopy (13C NMR)
  • 19F nuclear magnetic resonance spectroscopy (19F NMR)
  • attenuated total reflectance Fourier transform infrared spectroscopy (ATR-FTIR)

You can also access this registry using the API (see API Docs).