MassBank Record: MSBNK-Washington_State_Univ-BML00740
ACCESSION: MSBNK-Washington_State_Univ-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
//