MassBank Record: BML00709

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Cycloheximide; LC-ESI-QTOF; MS2; CE 20 ev; [M+H]+

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

ACCESSION: BML00709
RECORD_TITLE: Cycloheximide; LC-ESI-QTOF; MS2; CE 20 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 POSITIVE
AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 ev
AC$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 5.689
AC$CHROMATOGRAPHY: SOLVENT A water with 0.2% acetic acid
AC$CHROMATOGRAPHY: SOLVENT B methanol with 0.2% acetic acid

MS$FOCUSED_ION: BASE_PEAK 247
MS$FOCUSED_ION: PRECURSOR_M/Z 282.1700
MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+

PK$SPLASH: splash10-0aba-0930000000-5d8ccb982f6e66d1fe7f
PK$NUM_PEAK: 56
PK$PEAK: m/z int. rel.int.
  107.0453 60 297
  107.086 90 445
  112.0393 28 138
  121.0264 97 480
  121.0669 29 143
  121.0909 35 173
  123.0768 28 138
  125.0983 52 257
  129.0631 33 163
  131.0849 61 302
  133.0564 24 119
  133.1026 43 213
  135.0774 33 163
  135.1175 45 223
  136.0754 34 168
  137.0915 34 168
  138.051 69 341
  138.0891 25 124
  143.0813 67 331
  145.1022 37 183
  147.0806 55 272
  149.0629 44 218
  149.0918 34 168
  153.0575 34 168
  153.0938 47 232
  155.0828 58 287
  156.0594 26 129
  157.0983 80 396
  159.1155 161 796
  161.0904 32 158
  161.1278 33 163
  166.0924 21 104
  169.0943 22 109
  170.101 39 193
  173.1288 122 603
  175.1031 37 183
  177.0834 36 178
  177.1313 75 371
  181.0427 32 158
  183.1073 33 163
  183.1221 30 148
  187.0687 27 134
  187.1105 151 747
  189.0913 51 252
  201.1293 100 495
  202.1215 36 178
  203.1362 37 183
  205.1213 68 336
  211.1065 80 396
  218.1551 49 242
  219.135 67 331
  228.1361 23 114
  229.1201 112 554
  246.1492 89 440
  247.1305 202 999
  264.1606 42 208
//