ACCESSION: MSBNK-RIKEN_NPDepo-NGA00963
RECORD_TITLE: Cycloheximide; LC-ESI-QQQ; MS2; Frag=135.0V CID@10.0; [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$SPLASH: splash10-01ot-0090000000-c5bdd186702d3410eb2d
PK$NUM_PEAK: 156
PK$PEAK: m/z int. rel.int.
  156.7 2.72 2
  156.8 4.35 4
  156.9 5.88 5
  157.0 6.77 6
  157.1 6.91 6
  157.2 6.44 6
  157.3 5.5 5
  157.4 4.1 4
  157.5 2.4 2
  158.6 1.39 1
  158.7 2.81 2
  158.8 5.07 5
  158.9 7.19 7
  159.0 8.23 8
  159.1 8.34 8
  159.2 8.21 8
  159.3 7.81 7
  159.4 6.51 6
  159.5 4.21 4
  159.6 1.74 1
  172.8 2.68 2
  172.9 4.35 4
  173.0 6.39 6
  173.1 7.99 7
  173.2 8.56 8
  173.3 7.91 7
  173.4 6.06 6
  173.5 3.47 3
  182.8 1.74 1
  182.9 3.07 3
  183.0 4.53 4
  183.1 5.32 5
  183.2 5.04 5
  183.3 4.01 4
  183.4 2.75 2
  186.7 2.45 2
  186.8 4.49 4
  186.9 6.54 6
  187.0 7.98 7
  187.1 8.83 8
  187.2 9.07 9
  187.3 8.22 8
  187.4 5.98 5
  187.5 3.1 3
  200.7 2.53 2
  200.8 4.42 4
  200.9 7.07 7
  201.0 9.94 9
  201.1 11.99 11
  201.2 12.34 12
  201.3 10.92 10
  201.4 8.31 8
  201.5 5.16 5
  201.6 2.23 2
  204.7 2.41 2
  204.8 4.32 4
  204.9 6.44 6
  205.0 8.1 8
  205.1 8.96 8
  205.2 8.96 8
  205.3 8.06 8
  205.4 6.18 6
  205.5 3.63 3
  217.7 1.43 1
  217.8 2.82 2
  217.9 4.53 4
  218.0 5.8 5
  218.1 6.2 6
  218.2 6.19 6
  218.3 6.31 6
  218.4 6.35 6
  218.5 5.81 5
  218.6 5.3 5
  218.7 6.31 6
  218.8 9.65 9
  218.9 14.53 14
  219.0 19.29 19
  219.1 22.55 22
  219.2 23.56 23
  219.3 21.88 21
  219.4 17.39 17
  219.5 11.07 11
  219.6 5.1 5
  228.6 4.61 4
  228.7 5.83 5
  228.8 9.58 9
  228.9 15.12 15
  229.0 20.5 20
  229.1 24.15 24
  229.2 25.28 25
  229.3 23.43 23
  229.4 18.51 18
  229.5 11.51 11
  229.6 4.69 4
  229.7 0.62 0
  245.2 0.52 0
  245.3 2.11 2
  245.4 4.82 4
  245.5 8.08 8
  245.6 12.6 12
  245.7 21.26 21
  245.8 36.78 36
  245.9 58.18 58
  246.0 79.94 79
  246.1 95.24 95
  246.2 100.0 99
  246.3 93.64 93
  246.4 77.21 77
  246.5 53.58 53
  246.6 29.85 29
  246.8 17.38 17
  246.9 29.74 29
  247.0 43.21 43
  247.1 50.92 50
  247.2 51.7 51
  247.3 46.29 46
  247.4 34.91 34
  247.5 19.74 19
  247.6 6.36 6
  247.7 0.06 0
  263.3 1.15 1
  263.4 2.96 2
  263.5 5.91 5
  263.6 10.28 10
  263.7 17.61 17
  263.8 30.37 30
  263.9 48.55 48
  264.0 66.91 66
  264.1 78.42 78
  264.2 80.68 80
  264.3 75.83 75
  264.4 64.65 64
  264.5 46.37 46
  264.6 24.97 24
  264.9 13.39 13
  265.0 22.27 22
  265.1 27.95 27
  265.2 29.27 29
  265.3 27.24 27
  265.4 22.36 22
  265.5 14.75 14
  265.6 6.33 6
  265.7 0.6 0
  281.5 2.03 2
  281.6 3.45 3
  281.7 5.71 5
  281.8 9.74 9
  281.9 16.19 16
  282.0 23.94 23
  282.1 30.2 30
  282.2 32.36 32
  282.3 29.75 29
  282.4 23.22 23
  282.5 14.42 14
  282.6 5.93 5
  282.7 0.6 0
//