MassBank Record: BML00709



 Cycloheximide; LC-ESI-QTOF; MS2; CE 20 ev; [M+H]+ 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: BML00709
RECORD_TITLE: Cycloheximide; LC-ESI-QTOF; MS2; CE 20 ev; [M+H]+
DATE: 2016.01.19 (2012.10.26)
AUTHORS: Cuthbertson DJInstitute of Biological Chemistry, Washington State University, Johnson SRInstitute of Biological Chemistry, Washington State University, Lange BMInstitute of Biological Chemistry, Washington State University, 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$SMILES: CC1CC(C(=O)C(C1)C(CC2CC(=O)NC(=O)C2)O)C CH$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) CH$LINK: CAS 66-81-9 CH$LINK: CHEMSPIDER 2797 CH$LINK: PUBCHEM CID:2900 CH$LINK: INCHIKEY YPHMISFOHDHNIV-UHFFFAOYSA-N
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 //