ACCESSION: MSBNK-Washington_State_Univ-BML00929
RECORD_TITLE: trans-Zeatin-riboside; 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 0.540

CH$NAME: trans-Zeatin-riboside
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₅H₂₁N₅O₅
CH$EXACT_MASS: 351.154269
CH$SMILES: CC(=CCNC1=NC=NC2=C1N=CN2C3C(C(C(O3)CO)O)O)CO
CH$IUPAC: InChI=1S/C15H21N5O5/c1-8(4-21)2-3-16-13-10-14(18-6-17-13)20(7-19-10)15-12(24)11(23)9(5-22)25-15/h2,6-7,9,11-12,15,21-24H,3-5H2,1H3,(H,16,17,18)
CH$LINK: CAS 28542-78-1
CH$LINK: CHEMSPIDER 5328
CH$LINK: PUBCHEM CID:5529
CH$LINK: INCHIKEY GOSWTRUMMSCNCW-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$MASS_SPECTROMETRY: COLLISION_ENERGY 40 ev
AC$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 3.965
AC$CHROMATOGRAPHY: SOLVENT A water with 0.2% acetic acid
AC$CHROMATOGRAPHY: SOLVENT B methanol with 0.2% acetic acid

MS$FOCUSED_ION: BASE_PEAK 136
MS$FOCUSED_ION: PRECURSOR_M/Z 352.1616
MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+

PK$SPLASH: splash10-000i-0900000000-13e83867a4fbce334b36
PK$NUM_PEAK: 9
PK$PEAK: m/z int. rel.int.
  119.0346 152 176
  136.061 863 999
  136.0957 31 36
  146.0414 20 23
  148.0608 123 142
  157.056 23 27
  185.0784 54 63
  202.1015 33 38
  202.1109 44 51
//