ACCESSION: MSBNK-Washington_State_Univ-BML00939
RECORD_TITLE: trans-Zeatin-riboside; 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 0.538

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 NEGATIVE
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 3.962
AC$CHROMATOGRAPHY: SOLVENT A water with 0.2% acetic acid
AC$CHROMATOGRAPHY: SOLVENT B methanol with 0.2% acetic acid

MS$FOCUSED_ION: BASE_PEAK 218
MS$FOCUSED_ION: PRECURSOR_M/Z 350.1470
MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-

PK$SPLASH: splash10-014i-0191000000-b7f5fb0e1230fac5ac1d
PK$NUM_PEAK: 18
PK$PEAK: m/z int. rel.int.
  100.0917 26 21
  111.9082 35 29
  133.0325 60 49
  134.0487 63 51
  157.78 41 33
  165.6532 21 17
  189.7498 50 41
  218.1035 1223 999
  218.1404 70 57
  218.1708 22 18
  218.4031 22 18
  244.7622 68 56
  249.5303 41 33
  266.087 121 99
  266.1209 37 30
  267.9347 32 26
  281.4314 20 16
  350.153 262 214
//