ACCESSION: MSBNK-Washington_State_Univ-BML00905
RECORD_TITLE: Anisomycin; LC-ESI-QTOF; MS2; CE 10 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 0.387

CH$NAME: Anisomycin
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₄H₁₉NO₄
CH$EXACT_MASS: 265.131408
CH$SMILES: CC(=O)OC1C(CNC1CC2=CC=C(C=C2)OC)O
CH$IUPAC: InChI=1S/C14H19NO4/c1-9(16)19-14-12(15-8-13(14)17)7-10-3-5-11(18-2)6-4-10/h3-6,12-15,17H,7-8H2,1-2H3
CH$LINK: CAS 22862-76-6
CH$LINK: CHEMSPIDER 2114
CH$LINK: PUBCHEM CID:2199
CH$LINK: INCHIKEY YKJYKKNCCRKFSL-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$MASS_SPECTROMETRY: COLLISION_ENERGY 10 ev
AC$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 2.846
AC$CHROMATOGRAPHY: SOLVENT A water with 0.2% acetic acid
AC$CHROMATOGRAPHY: SOLVENT B methanol with 0.2% acetic acid

MS$FOCUSED_ION: BASE_PEAK 266
MS$FOCUSED_ION: PRECURSOR_M/Z 266.1387
MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+

PK$SPLASH: splash10-014i-0590000000-1ef51f5234f14fbe550f
PK$NUM_PEAK: 28
PK$PEAK: m/z int. rel.int.
  114.9436 28 8
  121.0645 1818 496
  121.0919 62 17
  121.1058 21 6
  121.1671 25 7
  144.0597 27 7
  145.065 110 30
  147.0774 98 27
  149.0952 23 6
  150.0906 105 29
  159.0781 155 42
  159.0843 62 17
  161.0939 66 18
  163.0706 22 6
  163.0938 26 7
  171.0818 30 8
  173.9651 21 6
  176.1075 24 7
  177.0903 28 8
  188.1042 567 155
  188.1333 23 6
  189.0884 77 21
  206.1156 1801 491
  206.1584 75 20
  206.2518 23 6
  224.1227 82 22
  224.1525 21 6
  266.1365 3661 999
//