ACCESSION: MSBNK-RIKEN_NPDepo-NGA00961
RECORD_TITLE: Cycloheximide; LC-ESI-QQQ; MS2; Frag=135.0V CID@25.0; [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$SPLASH: splash10-0a4i-1910000000-139a952d09bafc4f9f5e
PK$NUM_PEAK: 587
PK$PEAK: m/z int. rel.int.
  54.5 2.3 2
  54.6 4.01 4
  54.7 6.13 6
  54.8 8.22 8
  54.9 10.05 10
  55.0 11.24 11
  55.1 11.21 11
  55.2 9.76 9
  55.3 7.22 7
  55.4 4.27 4
  66.6 2.5 2
  66.7 3.97 3
  66.8 5.19 5
  66.9 6.17 6
  67.0 7.18 7
  67.1 7.95 7
  67.2 7.79 7
  67.3 6.5 6
  67.4 4.56 4
  67.5 2.6 2
  68.5 2.25 2
  68.6 3.7 3
  68.7 5.98 5
  68.8 9.76 9
  68.9 14.35 14
  69.0 17.57 17
  69.1 17.88 17
  69.2 15.8 15
  69.3 12.4 12
  69.4 8.11 8
  69.5 3.65 3
  78.5 2.26 2
  78.6 3.85 3
  78.7 6.37 6
  78.8 9.51 9
  78.9 12.52 12
  79.0 14.55 14
  79.1 15.2 15
  79.2 14.43 14
  79.3 11.93 11
  79.4 7.75 7
  79.5 3.32 3
  80.5 3.14 3
  80.6 3.83 3
  80.7 6.14 6
  80.8 10.58 10
  80.9 15.31 15
  81.0 18.05 18
  81.1 18.48 18
  81.2 17.35 17
  81.3 14.54 14
  81.4 9.8 9
  81.5 4.54 4
  82.8 3.3 3
  82.9 4.88 4
  83.0 6.55 6
  83.1 8.09 8
  83.2 9.0 8
  83.3 8.27 8
  83.4 5.63 5
  83.5 2.45 2
  90.6 2.93 2
  90.7 4.51 4
  90.8 7.65 7
  90.9 11.44 11
  91.0 13.82 13
  91.1 13.48 13
  91.2 10.93 10
  91.3 7.57 7
  91.4 4.33 4
  92.4 1.31 1
  92.5 2.66 2
  92.6 5.37 5
  92.7 9.26 9
  92.8 13.25 13
  92.9 16.14 16
  93.0 17.39 17
  93.1 17.55 17
  93.2 17.32 17
  93.3 15.94 15
  93.4 12.05 12
  93.5 6.39 6
  93.6 1.81 1
  94.4 3.32 3
  94.5 6.05 6
  94.6 10.93 10
  94.7 17.4 17
  94.8 23.9 23
  94.9 29.73 29
  95.0 35.42 35
  95.1 40.61 40
  95.2 42.84 42
  95.3 39.37 39
  95.4 29.89 29
  95.5 17.5 17
  95.6 7.17 7
  96.7 3.8 3
  96.8 5.01 5
  96.9 6.56 6
  97.0 8.17 8
  97.1 9.21 9
  97.2 9.11 9
  97.3 7.64 7
  97.4 5.05 5
  97.5 2.26 2
  104.6 2.27 2
  104.7 5.31 5
  104.8 10.57 10
  104.9 16.28 16
  105.0 20.41 20
  105.1 22.09 22
  105.2 21.0 20
  105.3 16.91 16
  105.4 10.65 10
  105.5 4.57 4
  106.2 1.66 1
  106.3 3.36 3
  106.4 5.52 5
  106.5 8.12 8
  106.6 12.69 12
  106.7 21.83 21
  106.8 36.59 36
  106.9 54.02 53
  107.0 68.12 68
  107.1 74.32 74
  107.2 72.1 72
  107.3 62.68 62
  107.4 46.8 46
  107.5 26.99 26
  107.6 9.49 9
  107.7 0.41 0
  108.7 3.05 3
  108.8 5.03 5
  108.9 7.47 7
  109.0 9.26 9
  109.1 10.1 10
  109.2 10.55 10
  109.3 10.46 10
  109.4 8.88 8
  109.5 5.75 5
  111.7 1.99 1
  111.8 3.91 3
  111.9 5.84 5
  112.0 6.92 6
  112.1 6.86 6
  112.2 6.0 5
  112.3 4.71 4
  112.4 3.16 3
  116.5 0.9 0
  116.6 2.48 2
  116.7 6.49 6
  116.8 11.86 11
  116.9 16.44 16
  117.0 18.55 18
  117.1 18.08 18
  117.2 15.79 15
  117.3 12.21 12
  117.4 7.79 7
  117.5 3.52 3
  118.5 2.19 2
  118.6 3.88 3
  118.7 8.36 8
  118.8 15.52 15
  118.9 23.79 23
  119.0 30.54 30
  119.1 33.45 33
  119.2 32.13 32
  119.3 27.69 27
  119.4 20.84 20
  119.5 12.26 12
  119.6 4.33 4
  120.2 2.02 2
  120.3 3.56 3
  120.4 6.01 6
  120.5 8.85 8
  120.6 13.59 13
  120.7 22.5 22
  120.8 35.08 35
  120.9 47.36 47
  121.0 55.61 55
  121.1 58.83 58
  121.2 56.9 56
  121.3 48.34 48
  121.4 32.87 32
  121.5 15.15 15
  121.6 2.71 2
  122.4 3.97 3
  122.5 5.68 5
  122.6 8.92 8
  122.7 14.28 14
  122.8 21.4 21
  122.9 28.43 28
  123.0 33.09 33
  123.1 34.43 34
  123.2 32.83 32
  123.3 28.4 28
  123.4 20.95 20
  123.5 11.88 11
  123.6 4.27 4
  124.5 5.08 5
  124.6 6.0 5
  124.7 8.48 8
  124.8 13.02 13
  124.9 18.16 18
  125.0 21.49 21
  125.1 22.27 22
  125.2 21.95 21
  125.3 21.34 21
  125.4 18.66 18
  125.5 12.57 12
  125.6 5.45 5
  128.6 2.07 2
  128.7 3.7 3
  128.8 5.77 5
  128.9 7.3 7
  129.0 7.67 7
  129.1 7.26 7
  129.2 6.72 6
  129.3 6.0 5
  129.4 4.66 4
  130.4 2.63 2
  130.5 3.98 3
  130.6 6.23 6
  130.7 9.73 9
  130.8 13.95 13
  130.9 17.67 17
  131.0 20.27 20
  131.1 22.22 22
  131.2 23.5 23
  131.3 22.21 22
  131.4 16.68 16
  131.5 8.63 8
  131.6 2.21 2
  132.4 1.85 1
  132.5 3.26 3
  132.6 4.8 4
  132.7 6.91 6
  132.8 10.19 10
  132.9 14.02 14
  133.0 16.76 16
  133.1 17.4 17
  133.2 16.12 16
  133.3 13.24 13
  133.4 9.02 9
  133.5 4.62 4
  134.6 1.35 1
  134.7 3.67 3
  134.8 7.65 7
  134.9 12.13 12
  135.0 16.12 16
  135.1 18.83 18
  135.2 18.93 18
  135.3 15.39 15
  135.4 9.26 9
  135.5 3.57 3
  137.6 2.83 2
  137.7 5.84 5
  137.8 10.86 10
  137.9 16.61 16
  138.0 21.14 21
  138.1 22.19 22
  138.2 18.86 18
  138.3 12.8 12
  138.4 6.87 6
  138.5 2.83 2
  140.8 3.63 3
  140.9 5.19 5
  141.0 6.63 6
  141.1 7.52 7
  141.2 7.22 7
  141.3 5.48 5
  141.7 2.49 2
  141.8 4.61 4
  141.9 6.72 6
  142.0 8.23 8
  142.1 9.03 9
  142.2 9.26 9
  142.3 8.87 8
  142.4 7.68 7
  142.5 6.13 6
  142.6 6.27 6
  142.7 10.76 10
  142.8 20.1 20
  142.9 30.97 30
  143.0 38.71 38
  143.1 41.45 41
  143.2 40.07 40
  143.3 34.78 34
  143.4 24.96 24
  143.5 12.87 12
  143.6 3.8 3
  144.6 6.62 6
  144.7 9.52 9
  144.8 14.78 14
  144.9 21.83 21
  145.0 28.38 28
  145.1 32.11 32
  145.2 32.11 32
  145.3 28.42 28
  145.4 21.46 21
  145.5 12.81 12
  145.6 5.29 5
  145.7 1.26 1
  146.6 3.17 3
  146.7 4.54 4
  146.8 7.35 7
  146.9 10.72 10
  147.0 12.98 12
  147.1 13.28 13
  147.2 12.01 11
  147.3 9.7 9
  147.4 6.51 6
  147.5 2.99 2
  148.6 2.22 2
  148.7 3.97 3
  148.8 7.29 7
  148.9 11.39 11
  149.0 14.79 14
  149.1 16.38 16
  149.2 15.56 15
  149.3 12.04 12
  149.4 6.79 6
  152.7 2.43 2
  152.8 4.64 4
  152.9 6.67 6
  153.0 7.28 7
  153.1 6.57 6
  153.2 5.35 5
  153.3 3.87 3
  154.6 2.26 2
  154.7 4.3 4
  154.8 6.17 6
  154.9 6.99 6
  155.0 6.71 6
  155.1 6.16 6
  155.2 5.93 5
  155.3 5.57 5
  155.4 4.29 4
  155.5 2.28 2
  156.3 2.25 2
  156.4 3.63 3
  156.5 5.44 5
  156.6 8.67 8
  156.7 14.9 14
  156.8 24.51 24
  156.9 35.62 35
  157.0 44.95 44
  157.1 49.55 49
  157.2 48.14 48
  157.3 40.94 40
  157.4 29.31 29
  157.5 16.08 16
  157.6 5.57 5
  158.2 4.02 4
  158.3 5.98 5
  158.4 9.05 9
  158.5 12.38 12
  158.6 17.37 17
  158.7 28.56 28
  158.8 49.4 49
  158.9 75.37 75
  159.0 94.67 94
  159.1 100.0 99
  159.2 95.99 95
  159.3 89.24 89
  159.4 76.47 76
  159.5 51.96 51
  159.6 22.03 22
  159.7 1.62 1
  160.6 1.62 1
  160.7 4.19 4
  160.8 8.71 8
  160.9 14.13 14
  161.0 18.75 18
  161.1 21.3 21
  161.2 21.14 21
  161.3 17.85 17
  161.4 11.83 11
  161.5 5.26 5
  162.6 2.78 2
  162.7 5.6 5
  162.8 9.64 9
  162.9 13.26 13
  163.0 15.14 15
  163.1 15.77 15
  163.2 16.71 16
  163.3 17.73 17
  163.4 16.24 16
  163.5 10.87 10
  163.6 4.2 4
  167.6 2.5 2
  167.7 4.17 4
  167.8 6.29 6
  167.9 8.16 8
  168.0 9.33 9
  168.1 9.58 9
  168.2 8.89 8
  168.6 6.04 6
  168.7 9.29 9
  168.8 14.81 14
  168.9 21.0 20
  169.0 26.07 26
  169.1 29.11 29
  169.2 30.02 29
  169.3 28.48 28
  169.4 23.55 23
  169.5 15.52 15
  169.6 7.45 7
  171.8 1.26 1
  171.9 3.0 2
  172.0 4.58 4
  172.1 5.24 5
  172.2 5.35 5
  172.3 5.88 5
  172.4 6.86 6
  172.5 7.48 7
  172.6 8.11 8
  172.7 11.19 11
  172.8 19.14 19
  172.9 31.32 31
  173.0 43.11 43
  173.1 49.38 49
  173.2 48.87 48
  173.3 43.46 43
  173.4 34.12 34
  173.5 21.23 21
  173.6 8.1 8
  173.7 0.22 0
  174.8 3.78 3
  174.9 5.1 5
  175.0 6.95 6
  175.1 8.76 8
  175.2 9.81 9
  175.3 9.62 9
  175.4 8.02 8
  175.5 5.36 5
  176.5 4.07 4
  176.6 5.48 5
  176.7 8.7 8
  176.8 14.44 14
  176.9 21.99 21
  177.0 29.61 29
  177.1 36.15 36
  177.2 40.65 40
  177.3 40.57 40
  177.4 33.23 33
  177.5 20.06 20
  177.6 7.17 7
  182.4 2.53 2
  182.5 3.57 3
  182.6 5.52 5
  182.7 10.33 10
  182.8 18.67 18
  182.9 28.07 28
  183.0 34.71 34
  183.1 37.14 37
  183.2 36.71 36
  183.3 34.21 34
  183.4 28.13 28
  183.5 17.88 17
  183.6 6.93 6
  183.7 0.67 0
  184.5 3.77 3
  184.6 5.62 5
  184.7 9.35 9
  184.8 14.31 14
  184.9 18.89 18
  185.0 21.69 21
  185.1 22.8 22
  185.2 23.41 23
  185.3 23.45 23
  185.4 20.8 20
  185.5 14.26 14
  185.6 6.42 6
  185.9 2.66 2
  186.0 4.6 4
  186.1 6.06 6
  186.2 7.33 7
  186.3 8.65 8
  186.4 9.64 9
  186.5 9.73 9
  186.6 10.51 10
  186.7 16.58 16
  186.8 30.95 30
  186.9 49.63 49
  187.0 63.89 63
  187.1 68.57 68
  187.2 65.28 65
  187.3 56.9 56
  187.4 43.4 43
  187.5 25.61 25
  187.6 8.97 8
  187.7 0.22 0
  190.8 2.75 2
  190.9 5.0 4
  191.0 6.75 6
  191.1 7.38 7
  191.2 7.0 6
  191.3 5.88 5
  191.4 4.24 4
  200.6 4.98 4
  200.7 8.17 8
  200.8 15.67 15
  200.9 26.96 26
  201.0 38.17 38
  201.1 44.8 44
  201.2 45.52 45
  201.3 41.61 41
  201.4 33.56 33
  201.5 21.55 21
  201.6 8.81 8
  201.7 0.73 0
  202.7 1.73 1
  202.8 3.14 3
  202.9 4.67 4
  203.0 5.7 5
  203.1 5.73 5
  203.2 4.98 4
  203.3 4.0 3
  203.8 1.26 1
  203.9 3.35 3
  204.0 5.33 5
  204.1 5.91 5
  204.2 4.97 4
  204.3 3.71 3
  204.4 3.15 3
  204.5 3.22 3
  204.6 3.7 3
  204.7 5.47 5
  204.8 9.72 9
  204.9 16.04 16
  205.0 22.21 22
  205.1 25.98 25
  205.2 26.31 26
  205.3 22.99 22
  205.4 16.43 16
  205.5 8.53 8
  205.6 2.26 2
  210.7 1.13 1
  210.8 2.87 2
  210.9 5.07 5
  211.0 6.88 6
  211.1 7.83 7
  211.2 8.03 8
  211.3 7.45 7
  211.4 5.74 5
  211.5 3.15 3
  218.8 4.39 4
  218.9 6.42 6
  219.0 8.55 8
  219.1 10.38 10
  219.2 11.55 11
  219.3 11.41 11
  219.4 9.38 9
  219.5 5.85 5
  219.6 2.39 2
  228.6 1.26 1
  228.7 2.99 2
  228.8 8.77 8
  228.9 17.55 17
  229.0 25.56 25
  229.1 29.25 29
  229.2 28.47 28
  229.3 25.05 25
  229.4 19.55 19
  229.5 11.95 11
  229.6 4.33 4
  245.5 0.74 0
  245.6 2.12 2
  245.7 5.3 5
  245.8 9.06 9
  245.9 11.91 11
  246.0 13.51 13
  246.1 14.37 14
  246.2 14.52 14
  246.3 13.5 13
  246.4 11.11 11
  246.7 6.13 6
  246.8 9.22 9
  246.9 13.42 13
  247.0 16.79 16
  247.1 18.68 18
  247.2 19.31 19
  247.3 18.32 18
  247.4 14.74 14
  247.5 8.85 8
  247.6 3.04 3
//