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25,361 molecules found

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• (10R,11S,13R,17S)-11-hydroxy-17-(2-hydroxyacetyl)-10-methyl-3-oxo-1,2,6,7,8,9... Molecule

  InChIKey	PQSUYGKTWSAVDQ-SRPWZAMTSA-N
  Molecular Formula	C21H28O5

  

  
  

  Related Dataset(s)

  • Aldosterone; LC-ESI-ITFT; MS2; CE: 30; [M+H]+
  • Aldosterone; LC-ESI-ITFT; MS2; CE: 60; [M+H]+
  • Aldosterone; LC-ESI-ITFT; MS2; CE: 30; [M-H]-
  • Aldosterone; LC-ESI-ITFT; MS2; CE: 100; [M-H]-
  • Aldosterone; LC-ESI-ITFT; MS2; CE: 20; [M+H]+
  • Aldosterone; LC-ESI-ITFT; MS2; CE: 10; [M-H]-
  • Aldosterone; LC-ESI-ITFT; MS2; CE: 60; [M-H]-
  • Aldosterone; LC-ESI-ITFT; MS2; CE: 10; [M+H]+
  • Aldosterone; LC-ESI-ITFT; MS2; CE: 40; [M+H]+
  • Aldosterone; LC-ESI-ITFT; MS2; CE: 20; [M-H]-
  • Aldosterone; LC-ESI-ITFT; MS2; CE: 100; [M+H]+
  • Aldosterone; LC-ESI-ITFT; MS2; CE: 40; [M-H]-

• (10R,13R)-17-[(E)-5,6-dimethylhept-3-en-2-yl]-10,13-dimethyl-1,2,6,7,8,9,11,1... Molecule

  InChIKey	OWYXOXZSAKVGHJ-LLOVBHQPSA-N
  Molecular Formula	C28H44O

  

  
  

  Related Dataset(s)

  • Ergosta-4,22-dien-3-one; LC-ESI-QQQ; MS; [M+H]+

• (10R,13R,14S)-17-acetyl-2,3,14-trihydroxy-10,13-dimethyl-2,3,4,5,9,11,12,15,1... Molecule

  InChIKey	VNLQNGYIXVTQRR-BLMSIPRSSA-N
  Molecular Formula	C21H30O5

  

  
  

  Related Dataset(s)

  • Poststerone; LC-ESI-QQQ; MS2; Frag=135.0V CID@10.0; [M+H]+
  • Poststerone; LC-ESI-QQQ; MS2; Frag=135.0V CID@25.0; [M+HCOO]-
  • Poststerone; LC-ESI-QQQ; MS2; Frag=135.0V CID@15.0; [M+HCOO]-
  • Poststerone; LC-ESI-QQQ; MS2; Frag=135.0V CID@5.0; [M+H]+
  • Poststerone; LC-ESI-QQQ; MS; [M+H]+
  • Poststerone; LC-ESI-QQQ; MS2; Frag=135.0V CID@15.0; [M+H]+
  • Poststerone; LC-ESI-QQQ; MS2; Frag=135.0V CID@25.0; [M+H]+
  • Poststerone; LC-ESI-QQQ; MS2; Frag=135.0V CID@5.0; [M+HCOO]-
  • Poststerone; LC-ESI-QQQ; MS2; Frag=135.0V CID@10.0; [M+HCOO]-

• (10R,13R,14S)-2,3,14-trihydroxy-10,13-dimethyl-17-[(2R,3S)-2,3,6-trihydroxy-6... Molecule

  InChIKey	NKDFYOWSKOHCCO-XSFZOHFFSA-N
  Molecular Formula	C27H44O7

  

  
  

  Related Dataset(s)

  • 2,3,14,20,22,25-Hexahydroxycholest-7-en-6-one; LC-ESI-QQQ; MS2; Frag=135.0V CID@5.0; [M+HCOO]-
  • 2,3,14,20,22,25-Hexahydroxycholest-7-en-6-one; LC-ESI-QQQ; MS2; Frag=135.0V CID@10.0; [M+HCOO]-
  • 2,3,14,20,22,25-Hexahydroxycholest-7-en-6-one; LC-ESI-QQQ; MS2; Frag=135.0V CID@15.0; [M+HCOO]-
  • 2,3,14,20,22,25-Hexahydroxycholest-7-en-6-one; LC-ESI-QQQ; MS; [M+H]+
  • 2,3,14,20,22,25-Hexahydroxycholest-7-en-6-one; LC-ESI-QQQ; MS2; Frag=135.0V CID@15.0; [M+H]+
  • 2,3,14,20,22,25-Hexahydroxycholest-7-en-6-one; LC-ESI-QQQ; MS2; Frag=135.0V CID@10.0; [M+H]+
  • 2,3,14,20,22,25-Hexahydroxycholest-7-en-6-one; LC-ESI-QQQ; MS2; Frag=135.0V CID@5.0; [M+H]+
  • 2,3,14,20,22,25-Hexahydroxycholest-7-en-6-one; LC-ESI-QQQ; MS2; Frag=135.0V CID@25.0; [M+H]+
  • 2,3,14,20,22,25-Hexahydroxycholest-7-en-6-one; LC-ESI-QQQ; MS2; Frag=135.0V CID@25.0; [M+HCOO]-

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

  InChIKey	QADHLRWLCPCEKT-JRQDRJMYSA-N
  Molecular Formula	C19H30O2

  

  
  

  Related Dataset(s)

  • Androst-5-ene-3,17-diol; LC-ESI-QQQ; MS2; Frag=135.0V CID@5.0; [M+H]+
  • Androst-5-ene-3,17-diol; LC-ESI-QQQ; MS2; Frag=135.0V CID@25.0; [M+H]+
  • Androst-5-ene-3,17-diol; LC-ESI-QQQ; MS2; Frag=135.0V CID@10.0; [M+H]+
  • Androst-5-ene-3,17-diol; LC-ESI-QQQ; MS2; Frag=135.0V CID@15.0; [M+H]+

• (10R,13S)-10,13-dimethyl-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]p... Molecule

  InChIKey	AEMFNILZOJDQLW-WFZCBACDSA-N
  Molecular Formula	C19H26O2

  

  
  

  Related Dataset(s)

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

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

  InChIKey	RJKFOVLPORLFTN-KKINBUFLSA-N
  Molecular Formula	C21H30O2

  

  
  

  Related Dataset(s)

  • Progesterone; LC-ESI-QQQ; MS2; Frag=135.0V CID@25.0; [M+H]+
  • Progesterone; LC-ESI-QQQ; MS2; Frag=135.0V CID@15.0; [M+H]+
  • Progesterone; LC-ESI-QQQ; MS2; Frag=135.0V CID@5.0; [M+H]+
  • Progesterone; LC-ESI-QQQ; MS2; Frag=135.0V CID@10.0; [M+H]+
  • Progesterone; LC-ESI-QQQ; MS; [M+H]+

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

  InChIKey	RSIHSRDYCUFFLA-DGGYFRSASA-N
  Molecular Formula	C19H26O2

  

  
  

  Related Dataset(s)

  • Boldenone; LC-ESI-QQQ; MS2; Frag=135.0V CID@15.0; [M+H]+
  • Boldenone; LC-ESI-QQQ; MS2; Frag=135.0V CID@5.0; [M+H]+
  • Boldenone; LC-ESI-QQQ; MS; [M+H]+
  • Boldenone; LC-ESI-QQQ; MS2; Frag=135.0V CID@25.0; [M+H]+
  • Boldenone; LC-ESI-QQQ; MS2; Frag=135.0V CID@10.0; [M+H]+

• (10R,13S,17R)-17-hydroxy-17-(2-hydroxyacetyl)-10,13-dimethyl-1,2,6,7,8,9,12,1... Molecule

  InChIKey	MFYSYFVPBJMHGN-BDQMTFAOSA-N
  Molecular Formula	C21H28O5

  

  
  

  Related Dataset(s)

  • Cortisone; LC-ESI-QQQ; MS2; Frag=135.0V CID@5.0; [M+H]+
  • Cortisone; LC-ESI-QQQ; MS2; Frag=135.0V CID@10.0; [M+H]+
  • Cortisone; LC-ESI-QQQ; MS; [M+H]+
  • Cortisone; LC-ESI-QQQ; MS2; Frag=135.0V CID@15.0; [M+H]+
  • Cortisone; LC-ESI-QQQ; MS2; Frag=135.0V CID@25.0; [M+H]+

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

  InChIKey	RSIHSRDYCUFFLA-PPORCNLBSA-N

  

  
  

  Related Dataset(s)

  • AEIV-051B_C17_OH_AD_03.05.2025_FULL[6]
  • AEIV-051B_C17_OH_AD_03.05.2025_FULL[9]

• (10S)-1,8-dihydroxy-3-(hydroxymethyl)-10-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6... Molecule

  InChIKey	AFHJQYHRLPMKHU-OSYMLPPYSA-N
  Molecular Formula	C21H22O9

  

  
  

  Related Dataset(s)

  • Aloin A; LC-ESI-ITFT; MS2; CE: 125%; R=15000; [M+H]+
  • Aloin A; LC-ESI-ITFT; MS2; CE: 40%; R=15000; [M+H]+
  • Aloin A; LC-ESI-ITFT; MS2; CE: 65%; R=15000; [M+H]+
  • Aloin A; LC-ESI-ITFT; MS2; CE: 25%; R=15000; [M+H]+
  • Aloin A; LC-ESI-ITFT; MS2; CE: 80%; R=15000; [M+H]+
  • Aloin A; LC-ESI-ITFT; MS2; CE: 90%; R=15000; [M+H]+
  • Aloin A; LC-ESI-ITFT; MS2; CE: 55%; R=15000; [M+H]+
  • Aloin A; LC-ESI-ITFT; MS2; CE: 50%; R=15000; [M+H]+
  • Aloin A; LC-ESI-ITFT; MS2; CE: 60%; R=15000; [M+H]+
  • Aloin A; LC-ESI-ITFT; MS2; CE: 80%; R=15000; [M+H]+
  • Aloin A; LC-ESI-ITFT; MS2; CE: 75%; R=15000; [M+H]+
  • Aloin A; LC-ESI-ITFT; MS2; CE: 125%; R=15000; [M+H]+
  • Aloin A; LC-ESI-ITFT; MS2; CE: 90%; R=15000; [M+H]+
  • Aloin A; LC-ESI-ITFT; MS2; CE: 35%; R=15000; [M+H]+
  • Aloin A; LC-ESI-ITFT; MS2; CE: 20%; R=15000; [M+H]+
  • Aloin A; LC-ESI-ITFT; MS2; CE: 50%; R=15000; [M+H]+
  • Aloin A; LC-ESI-ITFT; MS2; CE: 90%; R=15000; [M+H]+
  • Aloin A; LC-ESI-ITFT; MS2; CE: 75%; R=15000; [M+H]+
  • Aloin A; LC-ESI-ITFT; MS2; CE: 30%; R=15000; [M+H]+
  • Aloin A; LC-ESI-ITFT; MS2; CE: 90%; R=15000; [M+H]+
  • Aloin A; LC-ESI-ITFT; MS2; CE: 70%; R=15000; [M+H]+
  • Aloin A; LC-ESI-ITFT; MS2; CE: 55%; R=15000; [M+H]+
  • Aloin A; LC-ESI-ITFT; MS2; CE: 70%; R=15000; [M+H]+
  • Aloin A; LC-ESI-ITFT; MS2; CE: 120%; R=15000; [M+H]+
  • Aloin A; LC-ESI-ITFT; MS2; CE: 15%; R=15000; [M+H]+
  • Aloin A; LC-ESI-ITFT; MS2; CE: 110%; R=15000; [M+H]+
  • Aloin A; LC-ESI-ITFT; MS2; CE: 80%; R=15000; [M+H]+
  • Aloin A; LC-ESI-ITFT; MS2; CE: 105%; R=15000; [M+H]+
  • Aloin A; LC-ESI-ITFT; MS2; CE: 95%; R=15000; [M+H]+
  • Aloin A; LC-ESI-ITFT; MS2; CE: 25%; R=15000; [M+H]+
  • Aloin A; LC-ESI-ITFT; MS2; CE: 60%; R=15000; [M+H]+
  • Aloin A; LC-ESI-ITFT; MS2; CE: 15%; R=15000; [M+H]+
  • Aloin A; LC-ESI-ITFT; MS2; CE: 90%; R=15000; [M+H]+
  • Aloin A; LC-ESI-ITFT; MS2; CE: 105%; R=15000; [M+H]+
  • Aloin A; LC-ESI-ITFT; MS2; CE: 45%; R=15000; [M+H]+
  • Aloin A; LC-ESI-ITFT; MS2; CE: 40%; R=15000; [M+H]+
  • Aloin A; LC-ESI-ITFT; MS2; CE: 115%; R=15000; [M+H]+
  • Aloin A; LC-ESI-ITFT; MS2; CE: 55%; R=15000; [M+H]+
  • Aloin A; LC-ESI-ITFT; MS2; CE: 30%; R=15000; [M+H]+
  • Aloin A; LC-ESI-ITFT; MS2; CE: 80%; R=15000; [M+H]+
  • Aloin A; LC-ESI-ITFT; MS2; CE: 105%; R=15000; [M+H]+
  • Aloin A; LC-ESI-ITFT; MS2; CE: 125%; R=15000; [M+H]+
  • Aloin A; LC-ESI-ITFT; MS2; CE: 100%; R=15000; [M+H]+
  • Aloin A; LC-ESI-ITFT; MS2; CE: 85%; R=15000; [M+H]+
  • Aloin A; LC-ESI-ITFT; MS2; CE: 65%; R=15000; [M+H]+
  • Aloin A; LC-ESI-ITFT; MS2; CE: 45%; R=15000; [M+H]+
  • Aloin A; LC-ESI-ITFT; MS2; CE: 85%; R=15000; [M+H]+
  • Aloin A; LC-ESI-ITFT; MS2; CE: 115%; R=15000; [M+H]+
  • Barbaloin; LC-ESI-ITTOF; MS; [M+H]+
  • Aloin A; LC-ESI-ITFT; MS2; CE: 70%; R=15000; [M+H]+
  • Aloin A; LC-ESI-ITFT; MS2; CE: 65%; R=15000; [M+H]+
  • Aloin A; LC-ESI-ITFT; MS2; CE: 80%; R=15000; [M+H]+
  • Aloin A; LC-ESI-ITFT; MS2; CE: 20%; R=15000; [M+H]+
  • Aloin A; LC-ESI-ITFT; MS2; CE: 35%; R=15000; [M+H]+
  • Aloin A; LC-ESI-ITFT; MS2; CE: 115%; R=15000; [M+H]+

• (10S)-10,20-dihydroxy-6,10,23-trimethyl-4-azahexacyclo[12.11.0.02,11.04,9.015... Molecule

  InChIKey	RBVQXLKYWVYWQU-RQQIEUDCSA-N
  Molecular Formula	C27H45NO4

  

  
  

  Related Dataset(s)

  • Verticinone; LC-ESI-QQQ; MS2; Frag=135.0V CID@25.0; [M+H]+
  • Verticinone; LC-ESI-QQQ; MS2; Frag=135.0V CID@10.0; [M+H]+
  • Verticinone; LC-ESI-QQQ; MS2; Frag=135.0V CID@5.0; [M+H]+
  • Verticinone; LC-ESI-QQQ; MS2; Frag=135.0V CID@15.0; [M+H]+
  • Verticinone; LC-ESI-QQQ; MS; [M+H]+

• (10S)-2-hydroxy-3-[(1R)-1-hydroxyheptyl]-10-[(S)-hydroxy-[(2S)-6-oxo-2,3-dihy... Molecule

  InChIKey	ZJTBTDVZNGBSNG-WTFOXLIOSA-N
  Molecular Formula	C26H30O11

  

  
  

  Related Dataset(s)

  • RUBRATOXIN B; EI-B; MS

• (10S,13R)-3,14-dihydroxy-13-methyl-17-(5-oxo-2H-furan-3-yl)-1,2,3,6,7,8,9,11,... Molecule

  InChIKey	JPIDFRQBAGAXJM-NGIHOKHASA-N
  Molecular Formula	C23H30O5

  

  
  

  Related Dataset(s)

  • Hyrcanogenin; LC-ESI-QQQ; MS2; Frag=135.0V CID@10.0; [M+H]+
  • Hyrcanogenin; LC-ESI-QQQ; MS2; Frag=135.0V CID@15.0; [M+HCOO]-
  • Hyrcanogenin; LC-ESI-QQQ; MS2; Frag=135.0V CID@15.0; [M+H]+
  • Hyrcanogenin; LC-ESI-QQQ; MS2; Frag=135.0V CID@25.0; [M+H]+
  • Hyrcanogenin; LC-ESI-QQQ; MS2; Frag=135.0V CID@5.0; [M+H]+
  • Hyrcanogenin; LC-ESI-QQQ; MS2; Frag=135.0V CID@5.0; [M+HCOO]-
  • Hyrcanogenin; LC-ESI-QQQ; MS2; Frag=135.0V CID@25.0; [M+HCOO]-
  • Hyrcanogenin; LC-ESI-QQQ; MS2; Frag=135.0V CID@10.0; [M+HCOO]-

• (10S,13R)-3,5,14-trihydroxy-13-methyl-17-(5-oxo-2H-furan-3-yl)-2,3,4,6,7,8,9,... Molecule

  InChIKey	XJIILRFVONGQOG-BNUXJICCSA-N
  Molecular Formula	C23H32O7

  

  
  

  Related Dataset(s)

  • Strophanthidinic acid; LC-ESI-QQQ; MS; [M+H]+
  • Strophanthidinic acid; LC-ESI-QQQ; MS2; Frag=135.0V CID@10.0; [M+H]+
  • Strophanthidinic acid; LC-ESI-QQQ; MS2; Frag=135.0V CID@5.0; [M+H]+
  • Strophanthidinic acid; LC-ESI-QQQ; MS2; Frag=135.0V CID@25.0; [M+H]+
  • Strophanthidinic acid; LC-ESI-QQQ; MS2; Frag=135.0V CID@15.0; [M+H]+

• (10S,13R)-5,14-dihydroxy-3-[(2R,4S,6R)-4-hydroxy-6-methyl-5-[(3R,4S,5S,6R)-3,... Molecule

  InChIKey	KQBVSIZPUWODNU-TWBSMWMUSA-N
  Molecular Formula	C35H52O14

  

  
  

  Related Dataset(s)

  • Olitoriside; LC-ESI-QQQ; MS2; Frag=135.0V CID@15.0; [M+HCOO]-
  • Olitoriside; LC-ESI-QQQ; MS2; Frag=135.0V CID@5.0; [M+H]+
  • Olitoriside; LC-ESI-QQQ; MS2; Frag=135.0V CID@25.0; [M+HCOO]-
  • Olitoriside; LC-ESI-QQQ; MS2; Frag=135.0V CID@25.0; [M+H]+
  • Olitoriside; LC-ESI-QQQ; MS2; Frag=135.0V CID@15.0; [M+H]+
  • Olitoriside; LC-ESI-QQQ; MS2; Frag=135.0V CID@5.0; [M+HCOO]-
  • Olitoriside; LC-ESI-QQQ; MS2; Frag=135.0V CID@10.0; [M+H]+
  • Olitoriside; LC-ESI-QQQ; MS2; Frag=135.0V CID@10.0; [M+HCOO]-

• (10S,13R,17S)-3,5,14,16-tetrahydroxy-13-methyl-17-(5-oxo-2H-furan-3-yl)-2,3,4... Molecule

  InChIKey	LKRKDJSHACERQF-NBJYSJMPSA-N
  Molecular Formula	C23H32O7

  

  
  

  Related Dataset(s)

  • 17alpha-Strophadogenin; LC-ESI-QQQ; MS2; Frag=135.0V CID@5.0; [M+H]+
  • 17alpha-Strophadogenin; LC-ESI-QQQ; MS2; Frag=135.0V CID@5.0; [M+HCOO]-
  • 17alpha-Strophadogenin; LC-ESI-QQQ; MS2; Frag=135.0V CID@10.0; [M+H]+
  • 17alpha-Strophadogenin; LC-ESI-QQQ; MS2; Frag=135.0V CID@10.0; [M+HCOO]-
  • 17alpha-Strophadogenin; LC-ESI-QQQ; MS2; Frag=135.0V CID@25.0; [M+HCOO]-
  • 17alpha-Strophadogenin; LC-ESI-QQQ; MS2; Frag=135.0V CID@15.0; [M+HCOO]-
  • 17alpha-Strophadogenin; LC-ESI-QQQ; MS2; Frag=135.0V CID@25.0; [M+H]+
  • 17alpha-Strophadogenin; LC-ESI-QQQ; MS2; Frag=135.0V CID@15.0; [M+H]+

• (10a-methoxy-4,7-dimethyl-6a,8,9,10-tetrahydro-6H-indolo[4,3-fg]quinolin-9-yl... Molecule

  InChIKey	YSEXMKHXIOCEJA-UHFFFAOYSA-N
  Molecular Formula	C24H26BrN3O3

  

  
  

  Related Dataset(s)

  • Nicergoline; LC-APCI-QTOF; MS; POSITIVE
  • Nicergoline; LC-ESI-QTOF; MS2; CE 10 ev; [M+H]+
  • Nicergoline; LC-ESI-QTOF; MS2; CE 20 ev; [M+H]+
  • Nicergoline; LC-ESI-QTOF; MS; POSITIVE
  • Nicergoline; LC-ESI-QTOF; MS2; CE 40 ev; [M+H]+

• (10aR,12aS)-10a,12a-dimethyl-4,4a,4b,5,6,10b,11,12-octahydro-3H-naphtho[2,1-f... Molecule

  InChIKey	BPEWUONYVDABNZ-WFZCBACDSA-N
  Molecular Formula	C19H24O3

  

  
  

  Related Dataset(s)

  • testolactone; LC-ESI-QQQ; MS2; Frag=135.0V CID@25.0; [M+H]+
  • testolactone; LC-ESI-QQQ; MS2; Frag=135.0V CID@10.0; [M+H]+
  • testolactone; LC-ESI-QQQ; MS2; Frag=135.0V CID@15.0; [M+H]+
  • testolactone; LC-ESI-QQQ; MS2; Frag=135.0V CID@5.0; [M+H]+
  • testolactone; LC-ESI-QQQ; MS; [M+H]+

• (11-acetyloxy-10-hydroxy-1,5-dimethylspiro[8-oxatricyclo[7.2.1.02,7]dodec-5-e... Molecule

  InChIKey	AUGQEEXBDZWUJY-UHFFFAOYSA-N
  Molecular Formula	C19H26O7

  

  
  

  Related Dataset(s)

  • Diacetoxyscirpenol; LC-ESI-ITFT; MS2; CE: 15%; R=7500; [M+H]+
  • Diacetoxyscirpenol; LC-ESI-ITFT; MS2; CE: 50%; R=7500; [M+H]+
  • Diacetoxyscirpenol; LC-ESI-ITFT; MS2; CE: 20%; R=7500; [M+H]+
  • Diacetoxyscirpenol; LC-ESI-ITFT; MS2; CE: 40%; R=7500; [M+H]+
  • Diacetoxyscirpenol; LC-ESI-ITFT; MS2; CE: 60%; R=7500; [M+H]+

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