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MassBank Record: BML00740

Cycloheximide; LC-ESI-QTOF; MS2; CE 40 ev; [M-H]-

Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk)

ACCESSION: BML00740
RECORD_TITLE: Cycloheximide; LC-ESI-QTOF; MS2; CE 40 ev; [M-H]-
DATE: 2016.01.19 (Created 2012.10.26)
AUTHORS: Cuthbertson DJ, Johnson SR, Lange BM, Institute of Biological Chemistry, Washington State University
LICENSE: CC BY-SA
COMMENT: relative retention time with respect to 9-anthracene Carboxylic Acid is 0.773

CH$NAME: Cycloheximide
CH$COMPOUND_CLASS: N/A
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$INSTRUMENT: Agilent 1200 RRLC; Agilent 6520 QTOF
AC$INSTRUMENT_TYPE: LC-ESI-QTOF
AC$MASS_SPECTROMETRY: MS_TYPE MS2
AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 ev
AC$MASS_SPECTROMETRY: COLLISION_GAS N2
AC$MASS_SPECTROMETRY: SCANNING m/z 100-1000
AC$CHROMATOGRAPHY: COLUMN_NAME Agilent C8 Cartridge Column 2.1X30mm 3.5 micron (guard); Agilent SB-Aq 2.1x50mm 1.8 micron (analytical)
AC$CHROMATOGRAPHY: COLUMN_TEMPERATURE 60 C
AC$CHROMATOGRAPHY: FLOW_GRADIENT linear from 98A/2B at 0 min to 2A/98B at 13 min, hold 6 min at 2A/98B, reequilibration 98A/2B (5 min)
AC$CHROMATOGRAPHY: FLOW_RATE 0.6 ml/min
AC$CHROMATOGRAPHY: RETENTION_TIME 5.704
AC$CHROMATOGRAPHY: SOLVENT A water with 0.2% acetic acid
AC$CHROMATOGRAPHY: SOLVENT B methanol with 0.2% acetic acid

MS$FOCUSED_ION: BASE_PEAK 110
MS$FOCUSED_ION: PRECURSOR_M/Z 280.1554
MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-

PK$SPLASH: splash10-03k9-0900000000-be5f6c9bcc077dfcb733
PK$NUM_PEAK: 28
PK$PEAK: m/z int. rel.int.
  107.0433 26 15
  107.0493 33 19
  107.9295 32 18
  108.037 22 13
  110.0246 1747 999
  110.0617 37 21
  110.0864 32 18
  111.0521 27 15
  121.0659 115 66
  123.0816 1267 725
  123.1131 50 29
  123.1325 28 16
  123.175 23 13
  125.0967 507 290
  125.1186 22 13
  146.9386 29 17
  149.0978 62 35
  151.1137 219 125
  151.1386 47 27
  154.0524 74 42
  156.107 49 28
  161.096 32 18
  177.1263 96 55
  183.9951 24 14
  187.7225 22 13
  194.9099 51 29
  203.0979 24 14
  257.0358 27 15
//

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