ACCESSION: MSBNK-RIKEN_NPDepo-NGA00964
RECORD_TITLE: Cycloheximide; LC-ESI-QQQ; MS2; Frag=135.0V CID@5.0; [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$SPLASH: splash10-01q9-0090000000-38f8639eaddcce33f3c6
PK$NUM_PEAK: 76
PK$PEAK: m/z int. rel.int.
  218.7 2.81 2
  218.8 4.35 4
  218.9 6.09 6
  219.0 7.39 7
  219.1 8.03 8
  219.2 8.13 8
  219.3 7.52 7
  219.4 5.84 5
  219.5 3.34 3
  228.8 3.09 3
  228.9 4.63 4
  229.0 6.19 6
  229.1 7.24 7
  229.2 7.28 7
  229.3 6.19 6
  229.4 4.33 4
  229.5 2.34 2
  245.4 1.08 1
  245.5 2.27 2
  245.6 4.58 4
  245.7 9.25 9
  245.8 16.98 16
  245.9 26.43 26
  246.0 34.56 34
  246.1 38.86 38
  246.2 39.26 39
  246.3 36.94 36
  246.4 31.83 31
  246.5 23.25 23
  246.6 13.25 13
  246.9 9.63 9
  247.0 13.52 13
  247.1 15.87 15
  247.2 16.85 16
  247.3 16.24 16
  247.4 13.16 13
  247.5 7.89 7
  247.6 2.64 2
  263.3 0.79 0
  263.4 2.43 2
  263.5 4.82 4
  263.6 8.14 8
  263.7 13.97 13
  263.8 24.53 24
  263.9 40.09 40
  264.0 56.89 56
  264.1 68.98 68
  264.2 72.84 72
  264.3 68.57 68
  264.4 57.07 57
  264.5 39.52 39
  264.6 20.63 20
  264.9 9.65 9
  265.0 15.16 15
  265.1 18.37 18
  265.2 19.11 19
  265.3 18.04 18
  265.4 15.14 15
  265.5 10.3 10
  265.6 4.76 4
  265.7 0.75 0
  281.3 1.49 1
  281.4 3.42 3
  281.5 5.81 5
  281.6 9.35 9
  281.7 16.6 16
  281.8 30.81 30
  281.9 52.23 52
  282.0 75.47 75
  282.1 92.78 92
  282.2 100.0 99
  282.3 96.62 96
  282.4 81.68 81
  282.5 55.62 55
  282.6 25.97 25
  282.7 4.39 4
//