23,343 molecules found

InChIKey	DJCDFXZBRUEGEI-VRDUDMDPSA-N
Molecular Formula	C46H34N8O4

Related Dataset(s)

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

InChIKey	WHKAHOPJQDTUOK-UHFFFAOYSA-N
Molecular Formula	C21H19NO8

Related Dataset(s)

• Rubterolone A (HJ555)[10]
• Rubterolone A (HJ555)[11]
• Rubterolone A (HJ555)[2]
• Rubterolone A (HJ555)[4]
• Rubterolone A (HJ555)[5]
• Rubterolone A (HJ555)[3]
• Rubterolone A (HJ555)[1]
• Rubterolone A (HJ555)[50]

InChIKey	OFVLGDICTFRJMM-WESIUVDSSA-N
Molecular Formula	C22H24N2O8

Related Dataset(s)

• Tetracycline; LC-ESI-ITFT; MS2; CE: 90%; R=15000; [M+H]+
• Tetracycline; LC-ESI-ITFT; MS2; CE: 45%; R=15000; [M+H]+
• Tetracycline; LC-ESI-ITFT; MS2; CE: 60%; R=15000; [M+H]+
• Tetracycline; LC-ESI-ITFT; MS2; CE: 45%; R=15000; [M+H]+
• Tetracycline; LC-ESI-ITFT; MS2; CE: 115%; R=15000; [M+H]+
• Tetracycline; LC-ESI-ITFT; MS2; CE: 75%; R=15000; [M+H]+
• Tetracycline; LC-ESI-ITFT; MS2; CE: 80%; R=15000; [M+H]+
• Tetracycline; LC-ESI-ITFT; MS2; CE: 35%; R=15000; [M+H]+
• Tetracycline; LC-ESI-ITFT; MS2; CE: 55%; R=15000; [M+H]+
• Tetracycline; LC-ESI-ITFT; MS2; CE: 20%; R=15000; [M+H]+
• Tetracycline; LC-ESI-ITFT; MS2; CE: 50%; R=15000; [M+H]+
• Tetracycline; LC-ESI-ITFT; MS2; CE: 125%; R=15000; [M+H]+
• Tetracycline; LC-ESI-ITFT; MS2; CE: 100%; R=15000; [M+H]+
• Tetracycline; LC-ESI-QFT; MS2; CE: 75; R=35000; [M-H]-
• Tetracycline; LC-ESI-ITFT; MS2; CE: 30%; R=15000; [M+H]+
• Tetracycline; LC-ESI-ITFT; MS2; CE: 65%; R=15000; [M+H]+
• Tetracycline; LC-ESI-QFT; MS2; CE: 30; R=35000; [M+H]+
• Tetracycline; LC-ESI-ITFT; MS2; CE: 120%; R=15000; [M+H]+
• Tetracycline; LC-ESI-ITFT; MS2; CE: 95%; R=15000; [M+H]+
• Tetracycline; LC-ESI-ITFT; MS2; CE: 75%; R=15000; [M+H]+
• Tetracycline; LC-ESI-ITFT; MS2; CE: 155%; R=15000; [M+H]+
• Tetracycline; LC-ESI-ITFT; MS2; CE: 175%; R=15000; [M+H]+
• Tetracycline; LC-ESI-QTOF; MS2; CE:10 eV; [M+H]+
• Tetracycline; LC-ESI-ITFT; MS2; CE: 95%; R=15000; [M+H]+
• Tetracycline; LC-ESI-ITFT; MS2; CE: 35%; R=15000; [M+H]+
• Tetracycline; LC-ESI-QFT; MS2; CE: 15; R=35000; [M+H]+
• Tetracycline; LC-ESI-ITFT; MS2; CE: 15%; R=15000; [M+H]+
• Tetracycline; LC-ESI-QFT; MS2; CE: 45; R=35000; [M-H]-
• Tetracycline; LC-ESI-ITFT; MS2; CE: 120%; R=15000; [M+H]+
• Tetracycline; LC-ESI-ITFT; MS2; CE: 70%; R=15000; [M+H]+
• Tetracycline; LC-ESI-ITFT; MS2; CE: 130%; R=15000; [M+H]+
• Tetracycline; LC-ESI-ITFT; MS2; CE: 110%; R=15000; [M+H]+
• Tetracycline; LC-ESI-QTOF; MS2; CE:20 eV; [M+H]+
• Tetracycline; LC-ESI-ITFT; MS2; CE: 80%; R=15000; [M+H]+
• Tetracycline; LC-ESI-ITFT; MS2; CE: 85%; R=15000; [M+H]+
• Tetracycline; LC-ESI-ITFT; MS2; CE: 100%; R=15000; [M+H]+
• Tetracycline; LC-ESI-ITFT; MS2; CE: 15%; R=15000; [M+H]+
• Tetracycline; LC-ESI-ITFT; MS2; CE: 30%; R=15000; [M+H]+
• Tetracycline; LC-ESI-ITFT; MS2; CE: 10%; R=15000; [M+H]+
• Tetracycline; LC-ESI-ITFT; MS2; CE: 165%; R=15000; [M+H]+
• Tetracycline; LC-ESI-QTOF; MS2; CE:50 eV; [M+H]+
• Tetracycline; LC-ESI-ITFT; MS2; CE: 185%; R=15000; [M+H]+
• Tetracycline; LC-ESI-ITFT; MS2; CE: 160%; R=15000; [M+H]+
• Tetracycline; LC-ESI-ITFT; MS2; CE: 65%; R=15000; [M+H]+
• Tetracycline; LC-ESI-ITFT; MS2; CE: 110%; R=15000; [M+H]+
• Tetracycline; LC-ESI-ITFT; MS2; CE: 105%; R=15000; [M+H]+
• Tetracycline; LC-ESI-ITFT; MS2; CE: 150%; R=15000; [M+H]+
• Tetracycline; LC-ESI-QFT; MS2; CE: 30; R=35000; [M-H]-
• Tetracycline; LC-ESI-QTOF; MS2; CE:30 eV; [M+H]+
• Tetracycline; LC-ESI-ITFT; MS2; CE: 50%; R=15000; [M+H]+
• Tetracycline; LC-ESI-ITFT; MS2; CE: 35%; R=15000; [M+H]+
• Tetracycline; LC-ESI-ITFT; MS2; CE: 130%; R=15000; [M+H]+
• Tetracycline; LC-ESI-ITFT; MS2; CE: 25%; R=15000; [M+H]+
• Tetracycline; LC-ESI-ITFT; MS2; CE: 85%; R=15000; [M+H]+
• Tetracycline; LC-ESI-ITFT; MS2; CE: 125%; R=15000; [M+H]+
• Tetracycline; LC-ESI-ITFT; MS2; CE: 115%; R=15000; [M+H]+
• Tetracycline; LC-ESI-ITFT; MS2; CE: 20%; R=15000; [M+H]+
• Tetracycline; LC-ESI-ITFT; MS2; CE: 60%; R=15000; [M+H]+
• Tetracycline; LC-ESI-ITFT; MS2; CE: 180%; R=15000; [M+H]+
• Tetracycline; LC-ESI-ITFT; MS2; CE: 90%; R=15000; [M+H]+
• Tetracycline; LC-ESI-ITFT; MS2; CE: 40%; R=15000; [M+H]+
• Tetracycline; LC-ESI-ITFT; MS2; CE: 145%; R=15000; [M+H]+
• Tetracycline; LC-ESI-ITFT; MS2; CE: 70%; R=15000; [M+H]+
• Tetracycline; LC-ESI-ITFT; MS2; CE: 135%; R=15000; [M+H]+
• Tetracycline; LC-ESI-ITFT; MS2; CE: 40%; R=15000; [M+H]+
• Tetracycline; LC-ESI-ITFT; MS2; CE: 55%; R=15000; [M+H]+
• Tetracycline; LC-ESI-ITFT; MS2; CE: 170%; R=15000; [M+H]+
• Tetracycline; LC-ESI-ITFT; MS2; CE: 140%; R=15000; [M+H]+
• Tetracycline; LC-ESI-ITFT; MS2; CE: 105%; R=15000; [M+H]+
• Tetracycline; LC-ESI-QTOF; MS2; CE:40 eV; [M+H]+

InChIKey	NKMSPDDURIHEHG-UHFFFAOYSA-N
Molecular Formula	C18H14F2O

Related Dataset(s)

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

InChIKey	UMSXKUFLDBXFMU-UHFFFAOYSA-N
Molecular Formula	C24H25N

Related Dataset(s)

• nuclear magnetic resonance spectroscopy (NMR)
• 13C nuclear magnetic resonance spectroscopy (13C NMR)
• fast-atom bombardment mass spectrometry (FABMS)
• attenuated total reflectance Fourier transform infrared spectroscopy (ATR-FTIR)
• heteronuclear single quantum coherence (HSQC)

InChIKey	VUGZDCDKCWHWCR-UHFFFAOYSA-N
Molecular Formula	C14H16FNO5S

Related Dataset(s)

InChIKey	ZIOVRLNETCZUDP-UCGGMDDQSA-N
Molecular Formula	C42H36N4Si2Zn

Related Dataset(s)

• ultraviolet-visible spectrophotometry (UV-VIS)
• 1H nuclear magnetic resonance spectroscopy (1H NMR)
• 1H--13C heteronuclear single quantum coherence (1H-13C HSQC)
• mass spectrometry (MS)
• 13C nuclear magnetic resonance spectroscopy (13C NMR)
• infrared absorption spectroscopy (IR)

InChIKey	OGJNIRVMBUQSNO-RRCQUFFISA-M
Molecular Formula	C48H38Cl2F26N2

Related Dataset(s)

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

InChIKey	BTZUXQVFYYTGIH-UHFFFAOYSA-N

Related Dataset(s)

• VS-20220603-Diterpen4[13]
• VS-20220603-Diterpen4[14]
• of_20220728_DT4[20]
• of_20220728_DT4[21]
• VS-20220603-Diterpen4[11]
• VS-20220603-Diterpen4[10]
• VS-20220603-Diterpen4[12]

InChIKey	WTQNXTLTZHFGOL-IJJSMBQGSA-N

Related Dataset(s)

• Triplinone C[101]
• Triplinone C[104]
• Triplinone C[100]
• Triplinone C[102]
• Triplinone C[103]

InChIKey	ZZWPMFROUHHAKY-VRRLNDPFSA-N
Molecular Formula	C22H22O11

Related Dataset(s)

• Peonidin-3-O-beta-galactoside; LC-ESI-QTOF; MS2
• Peonidin-3-O-beta-galactoside; LC-ESI-QTOF; MS2
• Peonidin-3-O-beta-galactoside; LC-ESI-QTOF; MS2
• Peonidin-3-O-beta-galactoside; LC-ESI-QTOF; MS2
• Peonidin-3-O-beta-galactoside; LC-ESI-QTOF; MS2
• Peonidin-3-O-beta-galactoside; LC-ESI-QTOF; MS2
• Peonidin-3-O-beta-galactoside; LC-ESI-QTOF; MS2
• Peonidin-3-O-beta-galactoside; LC-ESI-QTOF; MS2
• Peonidin-3-O-beta-galactoside; LC-ESI-QTOF; MS2
• Peonidin-3-O-beta-galactoside; LC-ESI-QTOF; MS2
• Peonidin-3-O-beta-galactoside; LC-ESI-QTOF; MS2
• Peonidin-3-O-beta-galactoside; LC-ESI-QTOF; MS2

InChIKey	BCLDVYJMTITMEE-UHFFFAOYSA-M
Molecular Formula	C28H25AuClP

Related Dataset(s)

• 1H nuclear magnetic resonance spectroscopy (1H NMR)
• 31P nuclear magnetic resonance spectroscopy (31P NMR)
• infrared absorption spectroscopy (IR)
• 13C nuclear magnetic resonance spectroscopy (13C NMR)
• mass spectrometry (MS)

InChIKey	KFQZBBQYAUCPKG-UHFFFAOYSA-N
Molecular Formula	C15H31N3O3

Related Dataset(s)

• high-resolution mass spectrometry (HRMS)
• 1H nuclear magnetic resonance spectroscopy (1H NMR)
• process
• 13C nuclear magnetic resonance spectroscopy (13C NMR)

InChIKey	KRXACJADFVOWSP-VXXHMKEWSA-N
Molecular Formula	C92H183O14P

Related Dataset(s)

• Glcp-beta-1'-6'Glcp-beta-1'-1caldarchaetidylinositol; FAB-B; MS

InChIKey	HOKKPVIRMVDYPB-UVTDQMKNSA-N
Molecular Formula	C10H9ClN4S

Related Dataset(s)

• Thiacloprid; LC-ESI-QFT; MS2; CE: 75%; R=15000; [M+H]+
• Thiacloprid; LC-ESI-QFT; MS2; CE: 90%; R=15000; [M+H]+
• Thiacloprid; LC-ESI-QFT; MS2; CE: 120%; R=15000; [M+H]+
• Thiacloprid; LC-ESI-QFT; MS2; CE: 30%; R=15000; [M+H]+
• Thiacloprid; LC-ESI-QFT; MS2; CE: 60%; R=15000; [M+H]+
• Thiacloprid; LC-ESI-QFT; MS2; CE: 15%; R=15000; [M+H]+
• Thiacloprid; LC-ESI-QFT; MS2; CE: 150%; R=15000; [M+H]+
• Thiacloprid; LC-ESI-QFT; MS2; CE: 180%; R=15000; [M+H]+
• Thiacloprid; LC-ESI-QFT; MS2; CE: 45%; R=15000; [M+H]+

InChIKey	WQSUAPXZJHJOOD-PSOOFVECSA-N

Related Dataset(s)

• CB2[DEPT 135]
• CB2[HMBC]
• CB2[COSY]
• CB2[13C]
• CB2[1H]
• CB2[HSQC]

InChIKey	WEVXSCCUJIDACR-QVIHXGFCSA-N
Molecular Formula	C27H23N3

Related Dataset(s)

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

InChIKey	CZCMJHBEMUOMFX-QMDVQCMRSA-N

Related Dataset(s)

• Compound 2a[HMBC]
• Compound 2a[COSY]

InChIKey	AMZUNTHOABKHBP-UHFFFAOYSA-N

Related Dataset(s)

• Compound_2_YAC_1F Rhodiflavan A[13]
• Compound_2_YAC_1F Rhodiflavan A[15]
• Compound_2_YAC_1F Rhodiflavan A[17]
• Compound_2_YAC_1F Rhodiflavan A[16]
• Compound_2_YAC_1F Rhodiflavan A[12]
• Compound_2_YAC_1F Rhodiflavan A[11]

InChIKey	IVPVQEZYLVFIGH-FLPISHNPSA-N
Molecular Formula	C47H85O13P

Related Dataset(s)

• Phosphatidylinositol 18:0-20:3; LC-ESI-ITFT; MS2; [M-H]-; RT: 23.47; Exp: 3
• Phosphatidylinositol 18:0-20:3; LC-ESI-ITFT; MS2; [M-H]-; RT: 23.47; Exp: 1
• Phosphatidylinositol 18:0-20:3; LC-ESI-ITFT; MS2; [M-H]-; RT: 23.31; Exp: 3
• Phosphatidylinositol 18:0-20:3; LC-ESI-ITFT; MS2; [M-H]-; RT: 23.31; Exp: 2
• Phosphatidylinositol 18:0-20:3; LC-ESI-ITFT; MS2; [M-H]-; RT: 23.47; Exp: 2
• Phosphatidylinositol 18:0-20:3; LC-ESI-ITFT; MS2; [M-H]-; RT: 23.31; Exp: 1