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23,309 molecules found

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• (14S)-9,19,20,21,25-pentamethoxy-15-methyl-7,23-dioxa-15,30-diazaheptacyclo[2... Molecule

  InChIKey	YWNUNVSMOKMJMG-LJAQVGFWSA-N
  Molecular Formula	C38H40N2O7

  

  
  

  Related Dataset(s)

  • Thalsimine; LC-ESI-QTOF; MS2
  • Thalsimine; LC-ESI-QTOF; MS2
  • Thalsimine; LC-ESI-QTOF; MS2
  • Thalsimine; LC-ESI-QTOF; MS2
  • Thalsimine; LC-ESI-QTOF; MS2
  • Thalsimine; LC-ESI-QTOF; MS2
  • Thalsimine; LC-ESI-QTOF; MS2
  • Thalsimine; LC-ESI-QTOF; MS2
  • Thalsimine; LC-ESI-QTOF; MS2
  • Thalsimine; LC-ESI-QTOF; MS2
  • Thalsimine; LC-ESI-QTOF; MS2
  • Thalsimine; LC-ESI-QTOF; MS2

• (14S,27R)-22,33-dimethoxy-13,28-dimethyl-2,5,7,20-tetraoxa-13,28-diazaoctacyc... Molecule

  InChIKey	YVPXVXANRNDGTA-WDYNHAJCSA-N
  Molecular Formula	C37H38N2O6

  

  
  

  Related Dataset(s)

  • Cepharanthine; LC-ESI-QQQ; MS; [M+H]+

• (15-ethylidene-3,17-diazapentacyclo[12.3.1.02,10.04,9.012,17]octadeca-2(10),4... Molecule

  InChIKey	VXTDUGOBAOLMED-UHFFFAOYSA-N
  Molecular Formula	C19H22N2O

  

  
  

  Related Dataset(s)

  • Koumidine; LC-ESI-QTOF; MS2
  • Koumidine; LC-ESI-QTOF; MS2
  • Koumidine; LC-ESI-QTOF; MS2
  • Koumidine; LC-ESI-QTOF; MS2
  • Koumidine; LC-ESI-QTOF; MS2
  • Koumidine; LC-ESI-QTOF; MS2
  • Koumidine; LC-ESI-QTOF; MS2
  • Koumidine; LC-ESI-QTOF; MS2
  • Koumidine; LC-ESI-QTOF; MS2
  • Koumidine; LC-ESI-QTOF; MS2
  • Koumidine; LC-ESI-QTOF; MS2
  • Koumidine; LC-ESI-QTOF; MS2
  • Koumidine; LC-ESI-QTOF; MS2
  • Koumidine; LC-ESI-QTOF; MS2

• (15-ethylidene-6-methoxy-3,17-diazapentacyclo[12.3.1.02,10.04,9.012,17]octade... Molecule

  InChIKey	RBALEJFQJCAPLN-UHFFFAOYSA-N
  Molecular Formula	C20H24N2O2

  

  
  

  Related Dataset(s)

  • Gardnerine; LC-ESI-QTOF; MS2
  • Gardnerine; LC-ESI-QTOF; MS2
  • Gardnerine; LC-ESI-QTOF; MS2
  • Gardnerine; LC-ESI-QTOF; MS2
  • Gardnerine; LC-ESI-QTOF; MS2
  • Gardnerine; LC-ESI-QTOF; MS2
  • Gardnerine; LC-ESI-QTOF; MS2
  • Gardnerine; LC-ESI-QTOF; MS2
  • Gardnerine; LC-ESI-QTOF; MS2
  • Gardnerine; LC-ESI-QTOF; MS2
  • Gardnerine; LC-ESI-QTOF; MS2
  • Gardnerine; LC-ESI-QTOF; MS2
  • Gardnerine; LC-ESI-QTOF; MS2
  • Gardnerine; LC-ESI-QTOF; MS2
  • Gardnerine; LC-ESI-QTOF; MS2
  • Gardnerine; LC-ESI-QTOF; MS2
  • Gardnerine; LC-ESI-QTOF; MS2
  • Gardnerine; LC-ESI-QTOF; MS2
  • Gardnerine; LC-ESI-QTOF; MS2
  • Gardnerine; LC-ESI-QTOF; MS2
  • Gardnerine; LC-ESI-QTOF; MS2
  • Gardnerine; LC-ESI-QTOF; MS2
  • Gardnerine; LC-ESI-QTOF; MS2
  • Gardnerine; LC-ESI-QTOF; MS2
  • Gardnerine; LC-ESI-QTOF; MS2
  • Gardnerine; LC-ESI-QTOF; MS2
  • Gardnerine; LC-ESI-QTOF; MS2

• Isomarticin; 19196-46-4; DTXSID20891811; (15R)-3,10-dihydroxy-7-methoxy-13-me... Molecule

  InChIKey	HNMWDXUKPJZOQD-XPBDJYBLSA-N
  Molecular Formula	C18H16O9

  

  
  

  Related Dataset(s)

  • Isomarticin; LC-ESI-ITFT; MS2; CE: 50; R=17500; [M+H]+
  • Isomarticin; LC-ESI-ITFT; MS2; CE: 35; R=17500; [M+H]+
  • Isomarticin; LC-ESI-ITFT; MS2; CE: 20; R=17500; [M+H]+
  • Isomarticin; LC-ESI-ITFT; MS2; CE: 10; R=17500; [M+H]+
  • Isomarticin; LC-ESI-ITFT; MS2; CE: 30; R=17500; [M+H]+

• (15S,19S)-15-ethyl-1,11-diazapentacyclo[9.6.2.02,7.08,18.015,19]nonadeca-2,4,... Molecule

  InChIKey	WYJAPUKIYAZSEM-MOPGFXCFSA-N
  Molecular Formula	C19H22N2O

  

  
  

  Related Dataset(s)

  • Vincamone; LC-ESI-Q; MS; POS; 15 V, 30 V
  • Vincamone; LC-ESI-Q; MS; POS; 90 V
  • Vincamone; LC-ESI-Q; MS; POS; 75 V
  • Vincamone; LC-ESI-Q; MS; POS; 45 V
  • Vincamone; LC-ESI-Q; MS; POS; 60 V

• (16R,17R)-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthr... Molecule

  InChIKey	PROQIPRRNZUXQM-SBZGPEHISA-N
  Molecular Formula	C18H24O3

  

  
  

  Related Dataset(s)

  • Estriol; LC-APPI-QQ; MS
  • Estriol; LC-APPI-QQ; MS2; CE:20 V; [M-2H2O+H]+
  • Estriol; LC-APPI-QQ; MS2; CE:10 V; [M-2H2O+H]+
  • Estriol; LC-APPI-QQ; MS2; CE:40 V; [M-2H2O+H]+
  • Estriol; LC-APPI-QQ; MS2; CE:30 V; [M-2H2O+H]+
  • Estriol; LC-APPI-QQ; MS2; CE:50 V; [M-H2O+H]+
  • Estriol; LC-APPI-QQ; MS2; CE:40 V; [M-H2O+H]+
  • Estriol; LC-APPI-QQ; MS2; CE:20 V; [M-H2O+H]+
  • Estriol; LC-APPI-QQ; MS2; CE:10 V; [M-H2O+H]+
  • Estriol; LC-APPI-QQ; MS2; CE:60 V; [M-H2O+H]+
  • Estriol; LC-APPI-QQ; MS2; CE:60 V; [M-2H2O+H]+
  • Estriol; LC-APPI-QQ; MS2; CE:50 V; [M-2H2O+H]+
  • Estriol; LC-APPI-QQ; MS2; CE:30 V; [M-H2O+H]+

• (17-acetyl-10,13-dimethyl-3-oxo-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocycl... Molecule

  InChIKey	IWRPVTXREVYBHT-UHFFFAOYSA-N
  Molecular Formula	C23H32O4

  

  
  

  Related Dataset(s)

  • 11-alpha-Acetoxyprogesterone; LC-ESI-QTOF; MS2; CE 20 ev; [M+H]+
  • 11-alpha-Acetoxyprogesterone; LC-ESI-QTOF; MS; POSITIVE
  • 11-alpha-Acetoxyprogesterone; LC-APCI-QTOF; MS; POSITIVE
  • 11-alpha-Acetoxyprogesterone; LC-ESI-QTOF; MS2; CE 10 ev; [M+H]+

• (17-acetyl-6,10,13-trimethyl-3-oxo-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cycl... Molecule

  InChIKey	PSGAAPLEWMOORI-UHFFFAOYSA-N
  Molecular Formula	C24H34O4

  

  
  

  Related Dataset(s)

  • Medroxyprogesterone-17-acetate; LC-ESI-QTOF; MS2; 40 V
  • Medroxyprogesterone-17-acetate; LC-ESI-QTOF; MS2; 110 V
  • Medroxyprogesterone-17-acetate; LC-ESI-QTOF; MS2; 100 V
  • Medroxyprogesterone-17-acetate; LC-ESI-QTOF; MS2; 20 V
  • Medroxyprogesterone-17-acetate; LC-ESI-QTOF; MS2; 50 V
  • Medroxyprogesterone-17-acetate; LC-ESI-QTOF; MS2; 30 V
  • Medroxyprogesterone-17-acetate; LC-ESI-QTOF; MS2; 90 V
  • Medroxyprogesterone-17-acetate; LC-ESI-QTOF; MS2; 130 V
  • Medroxyprogesterone-17-acetate; LC-ESI-QTOF; MS2; 140 V
  • Medroxyprogesterone-17-acetate; LC-ESI-QTOF; MS2; 40 V
  • Medroxyprogesterone-17-acetate; LC-ESI-QTOF; MS2; 10 V
  • Medroxyprogesterone-17-acetate; LC-ESI-QTOF; MS2; 80 V
  • Medroxyprogesterone-17-acetate; LC-ESI-QTOF; MS2; 70 V
  • Medroxyprogesterone-17-acetate; LC-ESI-QTOF; MS2; 60 V
  • Medroxyprogesterone-17-acetate; LC-ESI-QTOF; MS2; 120 V
  • Medroxyprogesterone-17-acetate; LC-ESI-QTOF; MS2; 150 V

• (17-acetyloxy-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyc... Molecule

  InChIKey	QXKRUGDXPWHXHL-UHFFFAOYSA-N

  

  
  

  Related Dataset(s)

  • S3-3_SODXX_149_FULL_C3_C17_DI_OAc_07_08_2021-CPS3-3[5]
  • S3-3_SODXX_149_FULL_C3_C17_DI_OAc_07_08_2021-CPS3-3.1d
  • S3-3_SODXX_149_FULL_C3_C17_DI_OAc_07_08_2021-CPS3-3[4]
  • S3-3_SODXX_149_FULL_C3_C17_DI_OAc_07_08_2021-CPS3-3[6]
  • S3-3_SODXX_149_FULL_C3_C17_DI_OAc_07_08_2021-CPS3-3[3]
  • S3-3_SODXX_149_FULL_C3_C17_DI_OAc_07_08_2021-CPS3-3[1]
  • S3-3_SODXX_149_FULL_C3_C17_DI_OAc_07_08_2021-CPS3-3[7]

• (17-acetyloxy-10-formyl-13-methyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1... Molecule

  InChIKey	VZZVDHGDRPQCMC-UHFFFAOYSA-N

  

  
  

  Related Dataset(s)

  • 8_SODXXI_001_FULL_C19_ALDEHYDE_C3_C17_DI_OAc_07_12_2021-CP8[3]
  • 8_SODXXI_001_FULL_C19_ALDEHYDE_C3_C17_DI_OAc_07_12_2021-CP8[7]
  • 8_SODXXI_001_FULL_C19_ALDEHYDE_C3_C17_DI_OAc_07_12_2021-CP8[6]
  • 8_SODXXI_001_FULL_C19_ALDEHYDE_C3_C17_DI_OAc_07_12_2021-CP8[8]
  • 8_SODXXI_001_FULL_C19_ALDEHYDE_C3_C17_DI_OAc_07_12_2021-CP8[2]
  • 8_SODXXI_001_FULL_C19_ALDEHYDE_C3_C17_DI_OAc_07_12_2021-CP8[5]
  • 8_SODXXI_001_FULL_C19_ALDEHYDE_C3_C17_DI_OAc_07_12_2021-CP8[4]
  • 8_SODXXI_001_FULL_C19_ALDEHYDE_C3_C17_DI_OAc_07_12_2021-CP8[1]

• (17-acetyloxy-5-bromo-6-hydroxy-10,13-dimethyl-1,2,3,4,6,7,8,9,11,12,14,15,16... Molecule

  InChIKey	QUFXCTFKQBQMQC-UHFFFAOYSA-N

  

  
  

  Related Dataset(s)

  • S3-4_SODXX_160_FULL_BROMOHYDRIN_C3_C17_OAc_07_10_2021-CPS3-4[4]
  • S3-4_SODXX_160_FULL_BROMOHYDRIN_C3_C17_OAc_07_10_2021-CPS3-4[2]
  • S3-4_SODXX_160_FULL_BROMOHYDRIN_C3_C17_OAc_07_10_2021-CPS3-4.hmbc
  • S3-4_SODXX_160_FULL_BROMOHYDRIN_C3_C17_OAc_07_10_2021-CPS3-4[5]
  • S3-4_SODXX_160_FULL_BROMOHYDRIN_C3_C17_OAc_07_10_2021-CPS3-4[1]
  • S3-4_SODXX_160_FULL_BROMOHYDRIN_C3_C17_OAc_07_10_2021-CPS3-4[3]
  • S3-4_SODXX_160_FULL_BROMOHYDRIN_C3_C17_OAc_07_10_2021-CPS3-4.hsqc
  • S3-4_SODXX_160_FULL_BROMOHYDRIN_C3_C17_OAc_07_10_2021-CPS3-4.noesy

• (17R)-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthrene-... Molecule

  InChIKey	VOXZDWNPVJITMN-AWDGRILASA-N
  Molecular Formula	C18H24O2

  

  
  

  Related Dataset(s)

  • alpha-Estradiol; LC-APPI-QQ; MS2; CE:20 V; [M-H2O+H]+
  • alpha-Estradiol; LC-APPI-QQ; MS2; CE:10 V; [M-H2O+H]+
  • alpha-Estradiol; LC-APPI-QQ; MS2; CE:30 V; [M-H2O+H]+
  • alpha-Estradiol; LC-APPI-QQ; MS
  • alpha-Estradiol; LC-APPI-QQ; MS2; CE:50 V; [M-H2O+H]+
  • alpha-Estradiol; LC-APPI-QQ; MS2; CE:60 V; [M-H2O+H]+
  • alpha-Estradiol; LC-APPI-QQ; MS2; CE:40 V; [M-H2O+H]+

• (17S)-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthrene-... Molecule

  InChIKey	VOXZDWNPVJITMN-LESVLKBLSA-N
  Molecular Formula	C18H24O2

  

  
  

  Related Dataset(s)

  • beta-Estradiol; LC-APPI-QQ; MS2; CE:60 V; [M-H2O+H]+
  • beta-Estradiol; LC-APPI-QQ; MS2; CE:10 V; [M-H2O+H]+
  • beta-Estradiol; LC-APPI-QQ; MS2; CE:50 V; [M-H2O+H]+
  • beta-Estradiol; LC-APPI-QQ; MS2; CE:30 V; [M-H2O+H]+
  • beta-Estradiol; LC-APPI-QQ; MS2; CE:40 V; [M-H2O+H]+
  • beta-Estradiol; LC-APPI-QQ; MS2; CE:20 V; [M-H2O+H]+
  • beta-Estradiol; LC-APPI-QQ; MS

• (17S)-17-hydroxy-10,13-dimethyl-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocycl... Molecule

  InChIKey	MUMGGOZAMZWBJJ-YDJBNQETSA-N
  Molecular Formula	C19H28O2

  

  
  

  Related Dataset(s)

  • Testosterone; LC-APPI-QQ; MS2; CE:60 V; [M+H]+
  • Testosterone; LC-APPI-QQ; MS2; CE:40 V; [M+H]+
  • Testosterone; LC-APPI-QQ; MS2; CE:20 V; [M+H]+
  • Testosterone; LC-APPI-QQ; MS2; CE:50 V; [M+H]+
  • Testosterone; LC-APPI-QQ; MS
  • Testosterone; LC-APPI-QQ; MS2; CE:30 V; [M+H]+
  • Testosterone; LC-APPI-QQ; MS2; CE:10 V; [M+H]+

• (18Z,21Z)-N-[(4E,8E)-1,3-dihydroxyoctadeca-4,8-dien-2-yl]tetracosa-18,21-dien... Molecule

  InChIKey	QMPJMPWWIPZEKC-AREXDUQASA-N
  Molecular Formula	C42H77NO3

  

  
  

  Related Dataset(s)

  • Cer[NS] d42:4; LC-ESI-QTOF; MS2
  • Cer[NS] d42:4; LC-ESI-QTOF; MS2

• (18Z,21Z)-N-[(E)-1,3-dihydroxyoctadec-4-en-2-yl]tetracosa-18,21-dienamide Molecule

  InChIKey	VMOXUICDIMVPPG-UZRIYOBRSA-N
  Molecular Formula	C42H79NO3

  

  
  

  Related Dataset(s)

  • Cer[NS] d42:3; LC-ESI-QTOF; MS2
  • Cer[NS] d42:3; LC-ESI-QTOF; MS2
  • Cer[NS] d42:3; LC-ESI-QTOF; MS2
  • Cer[NS] d42:3; LC-ESI-QTOF; MS2

• (19S)-19-ethyl-19-hydroxy-8-nitro-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04... Molecule

  InChIKey	VHXNKPBCCMUMSW-FQEVSTJZSA-N
  Molecular Formula	C20H15N3O6

  

  
  

  Related Dataset(s)

  • 9-Nitro-20(S)-camptothecin; LC-ESI-QTOF; MS2
  • 9-Nitro-20(S)-camptothecin; LC-ESI-QTOF; MS2
  • 9-Nitro-20(S)-camptothecin; LC-ESI-QTOF; MS2
  • 9-Nitro-20(S)-camptothecin; LC-ESI-QTOF; MS2
  • 9-Nitro-20(S)-camptothecin; LC-ESI-QTOF; MS2
  • 9-Nitro-20(S)-camptothecin; LC-ESI-QTOF; MS2
  • 9-Nitro-20(S)-camptothecin; LC-ESI-QTOF; MS2
  • 9-Nitro-20(S)-camptothecin; LC-ESI-QTOF; MS2
  • 9-Nitro-20(S)-camptothecin; LC-ESI-QTOF; MS2
  • 9-Nitro-20(S)-camptothecin; LC-ESI-QTOF; MS2
  • 9-Nitro-20(S)-camptothecin; LC-ESI-QTOF; MS2
  • 9-Nitro-20(S)-camptothecin; LC-ESI-QTOF; MS2

• (19S)-19-ethyl-7,19-dihydroxy-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.0... Molecule

  InChIKey	HAWSQZCWOQZXHI-FQEVSTJZSA-N
  Molecular Formula	C20H16N2O5

  

  
  

  Related Dataset(s)

  • 10-hydroxy-Camptothecin; LC-ESI-QTOF; MS; NEGATIVE
  • 10-hydroxy-Camptothecin; LC-ESI-QTOF; MS; POSITIVE
  • 10-hydroxy-Camptothecin; LC-APCI-QTOF; MS; NEGATIVE
  • 10-hydroxy-Camptothecin; LC-APCI-QTOF; MS; POSITIVE

• (1E)-2-(ethylcarbamoylamino)-N-methoxy-2-oxoethanimidoyl cyanide Molecule

  InChIKey	XERJKGMBORTKEO-VZUCSPMQSA-N
  Molecular Formula	C7H10N4O3

  

  
  

  Related Dataset(s)

  • Cymoxanil; LC-ESI-ITFT; MS2; CE: 35%; R=30000; [M+H]+
  • Cymoxanil; LC-ESI-ITFT; MS2; CE: 30%; R=7500; [M+H]+
  • Cymoxanil; LC-ESI-ITFT; MS2; CE: 45%; R=15000; [M+H]+
  • Cymoxanil; LC-ESI-ITFT; MS2; CE: 60%; R=15000; [M+H]+
  • Cymoxanil; LC-ESI-ITFT; MS2; CE: 75%; R=7500; [M+H]+
  • Cymoxanil; LC-ESI-ITFT; MS2; CE: 90%; R=30000; [M+H]+
  • Cymoxanil; LC-ESI-ITFT; MS2; CE: 15%; R=7500; [M+H]+
  • Cymoxanil; LC-ESI-ITFT; MS2; CE: 45%; R=7500; [M+H]+
  • Cymoxanil; LC-ESI-ITFT; MS2; CE: 60%; R=7500; [M+H]+
  • Cymoxanil; LC-ESI-ITFT; MS2; CE: 90%; R=7500; [M+H]+
  • Cymoxanil; LC-ESI-ITFT; MS2; CE: 75%; R=15000; [M+H]+
  • Cymoxanil; LC-ESI-ITFT; MS2; CE: 35%; R=7500; [M+H]+
  • Cymoxanil; LC-ESI-ITFT; MS2; CE: 15%; R=15000; [M+H]+
  • Cymoxanil; LC-ESI-ITFT; MS2; CE: 30%; R=15000; [M+H]+

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