ACCESSION: MSBNK-RIKEN_NPDepo-NGA00962
RECORD_TITLE: Cycloheximide; LC-ESI-QQQ; MS2; Frag=135.0V CID@15.0; [M+H]+
DATE: 2018.04.04
AUTHORS: Nogawa T, Okano A, CSRS, RIKEN
LICENSE: CC BY
COMMENT: Origin: Microbe
COMMENT: SubCategory_DNP: Alkaloids derived from lysine, Piperidine alkaloids

CH$NAME: Cycloheximide
CH$COMPOUND_CLASS: Alkaloids
CH$FORMULA: C₁₅H₂₃NO₄
CH$EXACT_MASS: 281.162708
CH$SMILES: C[C@H]1C[C@@H](C(=O)[C@@H](C1)[C@@H](CC2CC(=O)NC(=O)C2)O)C
CH$IUPAC: InChI=1S/C15H23NO4/c1-8-3-9(2)15(20)11(4-8)12(17)5-10-6-13(18)16-14(19)7-10/h8-12,17H,3-7H2,1-2H3,(H,16,18,19)/t8-,9-,11-,12+/m0/s1
CH$LINK: CAS 66-81-9
CH$LINK: CHEBI 27641
CH$LINK: CHEMSPIDER 5962
CH$LINK: COMPTOX DTXSID6024882
CH$LINK: INCHIKEY YPHMISFOHDHNIV-FSZOTQKASA-N
CH$LINK: KEGG C06685
CH$LINK: PUBCHEM CID:6197

AC$INSTRUMENT: Agilent 6410 Triple Quadrupole LC/MS system
AC$INSTRUMENT_TYPE: LC-ESI-QQQ
AC$MASS_SPECTROMETRY: MS_TYPE MS2
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE

MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+

PK$SPLASH: splash10-0002-0790000000-58518cfe6bff07098648
PK$NUM_PEAK: 377
PK$PEAK: m/z int. rel.int.
  94.7 2.75 2
  94.8 4.49 4
  94.9 6.65 6
  95.0 8.76 8
  95.1 10.16 10
  95.2 10.27 10
  95.3 8.84 8
  95.4 6.28 6
  95.5 3.55 3
  106.5 1.86 1
  106.6 3.67 3
  106.7 6.68 6
  106.8 10.3 10
  106.9 13.24 13
  107.0 14.72 14
  107.1 15.09 15
  107.2 15.03 15
  107.3 14.22 14
  107.4 11.56 11
  107.5 7.03 7
  107.6 2.43 2
  120.5 2.14 2
  120.6 3.68 3
  120.7 6.82 6
  120.8 10.96 10
  120.9 14.77 14
  121.0 17.52 17
  121.1 19.1 19
  121.2 19.14 19
  121.3 16.9 16
  121.4 12.35 12
  121.5 6.85 6
  121.6 2.4 2
  122.6 2.44 2
  122.7 4.48 4
  122.8 8.0 7
  122.9 11.5 11
  123.0 13.26 13
  123.1 13.09 13
  123.2 11.89 11
  123.3 9.9 9
  123.4 6.77 6
  123.5 3.18 3
  124.5 2.96 2
  124.6 4.02 4
  124.7 4.96 4
  124.8 6.75 6
  124.9 9.79 9
  125.0 13.05 13
  125.1 14.94 14
  125.2 14.77 14
  125.3 12.76 12
  125.4 9.27 9
  125.5 4.97 4
  137.7 2.95 2
  137.8 5.06 5
  137.9 7.43 7
  138.0 8.86 8
  138.1 8.65 8
  138.2 6.94 6
  138.3 4.48 4
  138.4 2.16 2
  142.6 1.75 1
  142.7 3.45 3
  142.8 6.2 6
  142.9 9.46 9
  143.0 12.03 12
  143.1 12.94 12
  143.2 12.01 11
  143.3 9.7 9
  143.4 6.56 6
  143.5 3.31 3
  144.8 3.19 3
  144.9 4.85 4
  145.0 6.82 6
  145.1 8.03 8
  145.2 7.62 7
  145.3 5.77 5
  145.4 3.38 3
  148.7 2.46 2
  148.8 4.03 4
  148.9 5.29 5
  149.0 5.45 5
  149.1 4.77 4
  149.2 4.13 4
  149.3 3.86 3
  149.4 3.5 3
  149.5 2.69 2
  149.6 1.74 1
  149.7 1.23 1
  149.8 1.31 1
  149.9 1.71 1
  150.0 2.12 2
  150.1 2.39 2
  150.2 2.48 2
  150.3 2.26 2
  150.4 1.66 1
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  150.6 0.25 0
  150.7 0.07 0
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  152.4 1.09 1
  152.5 0.65 0
  152.6 0.39 0
  152.7 0.57 0
  152.8 1.19 1
  152.9 2.03 2
  153.0 2.78 2
  153.1 3.19 3
  153.2 3.14 3
  153.3 2.59 2
  153.4 1.72 1
  153.5 0.9 0
  153.6 0.5 0
  153.7 0.5 0
  153.8 0.56 0
  153.9 0.47 0
  154.0 0.3 0
  154.1 0.2 0
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  154.5 0.26 0
  154.6 0.33 0
  154.7 0.36 0
  154.8 0.37 0
  154.9 0.43 0
  155.0 0.57 0
  155.1 0.66 0
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  155.9 0.32 0
  156.0 0.15 0
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  156.8 8.23 8
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  157.0 15.41 15
  157.1 17.43 17
  157.2 17.98 17
  157.3 16.86 16
  157.4 13.54 13
  157.5 8.27 8
  157.6 2.96 2
  158.4 1.95 1
  158.5 3.38 3
  158.6 5.6 5
  158.7 9.55 9
  158.8 16.11 16
  158.9 24.4 24
  159.0 31.57 31
  159.1 34.85 34
  159.2 33.73 33
  159.3 29.54 29
  159.4 23.15 23
  159.5 14.84 14
  159.6 6.32 6
  159.7 0.64 0
  160.7 2.17 2
  160.8 3.61 3
  160.9 5.01 5
  161.0 5.97 5
  161.1 6.44 6
  161.2 6.37 6
  161.3 5.56 5
  161.4 4.01 4
  168.6 1.53 1
  168.7 3.34 3
  168.8 6.06 6
  168.9 8.6 8
  169.0 9.89 9
  169.1 9.79 9
  169.2 9.19 9
  169.3 8.63 8
  169.4 7.58 7
  169.5 5.6 5
  172.5 2.44 2
  172.6 3.89 3
  172.7 5.65 5
  172.8 9.08 9
  172.9 14.97 14
  173.0 21.33 21
  173.1 24.96 24
  173.2 24.89 24
  173.3 22.58 22
  173.4 18.75 18
  173.5 12.91 12
  173.6 6.0 5
  173.7 0.88 0
  176.6 1.48 1
  176.7 2.78 2
  176.8 5.28 5
  176.9 8.85 8
  177.0 12.65 12
  177.1 15.54 15
  177.2 16.68 16
  177.3 15.62 15
  177.4 12.31 12
  177.5 7.49 7
  177.6 2.91 2
  182.6 2.86 2
  182.7 4.43 4
  182.8 6.95 6
  182.9 10.35 10
  183.0 13.7 13
  183.1 15.82 15
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  184.9 12.89 12
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  185.2 16.18 16
  185.3 14.58 14
  185.4 11.76 11
  185.5 7.7 7
  185.6 3.5 3
  186.3 2.2 2
  186.4 3.46 3
  186.5 5.33 5
  186.6 8.11 8
  186.7 12.33 12
  186.8 18.07 18
  186.9 24.29 24
  187.0 29.31 29
  187.1 32.1 32
  187.2 32.56 32
  187.3 30.25 30
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  187.5 14.88 14
  187.6 5.76 5
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  200.8 13.06 13
  200.9 20.31 20
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  201.3 29.46 29
  201.4 23.03 23
  201.5 14.24 14
  201.6 5.87 5
  201.7 0.85 0
  204.7 4.98 4
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  205.4 16.85 16
  205.5 9.45 9
  205.6 2.9 2
  217.7 0.94 0
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  217.9 4.93 4
  218.0 7.35 7
  218.1 8.63 8
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  218.4 7.54 7
  218.5 6.73 6
  218.6 6.43 6
  218.7 8.39 8
  218.8 13.36 13
  218.9 20.07 20
  219.0 26.56 26
  219.1 31.47 31
  219.2 33.54 33
  219.3 31.17 31
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  227.7 1.71 1
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  229.1 41.66 41
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  229.3 38.01 37
  229.4 29.66 29
  229.5 17.21 17
  229.6 5.45 5
  229.7 0.0 0
  245.3 1.77 1
  245.4 3.79 3
  245.5 6.66 6
  245.6 10.95 10
  245.7 19.86 19
  245.8 36.74 36
  245.9 60.19 60
  246.0 83.03 82
  246.1 97.36 97
  246.2 100.0 99
  246.3 92.12 92
  246.4 75.56 75
  246.5 53.02 52
  246.6 31.6 31
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  246.9 43.45 43
  247.0 60.3 60
  247.1 70.03 69
  247.2 71.52 71
  247.3 66.03 65
  247.4 53.3 53
  247.5 33.98 33
  247.6 13.83 13
  247.7 1.08 1
  263.4 1.92 1
  263.5 3.33 3
  263.6 5.65 5
  263.7 9.69 9
  263.8 16.17 16
  263.9 24.71 24
  264.0 33.16 33
  264.1 38.54 38
  264.2 38.97 38
  264.3 34.58 34
  264.4 26.75 26
  264.5 17.43 17
  264.6 9.36 9
  264.8 6.06 6
  264.9 9.63 9
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  265.1 16.73 16
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  265.3 15.74 15
  265.4 11.43 11
  265.5 6.29 6
  265.6 2.11 2
//