ACCESSION: MSBNK-Washington_State_Univ-BML00945
RECORD_TITLE: trans-Zeatin-riboside; LC-ESI-QTOF; MS2; CE 20 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$MASS_SPECTROMETRY: COLLISION_ENERGY 20 ev
AC$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 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$SPLASH: splash10-014i-0390000000-c2c11220eeee527c6876
PK$NUM_PEAK: 16
PK$PEAK: m/z int. rel.int.
  103.036 31 35
  133.0019 34 38
  134.0473 296 335
  159.7322 64 72
  165.123 31 35
  185.9909 31 35
  188.0939 45 51
  192.5931 26 29
  200.0964 70 79
  218.1045 883 999
  218.1428 63 71
  225.4466 30 34
  266.0868 242 274
  283.1892 21 24
  331.7588 23 26
  350.134 57 64
//