MassBank Record: MSBNK-Washington_State_Univ-BML00890
ACCESSION: MSBNK-Washington_State_Univ-BML00890
RECORD_TITLE: trans-Zeatin; 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 0.442
CH$NAME: trans-Zeatin
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C10H13N5O
CH$EXACT_MASS: 219.11201
CH$SMILES: C/C(=C\CNC1=NC=NC2=C1NC=N2)/CO
CH$IUPAC: InChI=1S/C10H13N5O/c1-7(4-16)2-3-11-9-8-10(13-5-12-8)15-6-14-9/h2,5-6,16H,3-4H2,1H3,(H2,11,12,13,14,15)/b7-2+
CH$LINK: CAS
1637-39-4
CH$LINK: CHEMSPIDER
395716
CH$LINK: PUBCHEM
CID:449093
CH$LINK: INCHIKEY
UZKQTCBAMSWPJD-FARCUNLSSA-N
CH$LINK: COMPTOX
DTXSID9040631
AC$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$CHROMATOGRAPHY: RETENTION_TIME 3.241
AC$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$FOCUSED_ION: PRECURSOR_M/Z 218.1047
MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
PK$SPLASH: splash10-014i-0490000000-7a274998c68b723d3fb6
PK$NUM_PEAK: 20
PK$PEAK: m/z int. rel.int.
100.8625 24 6
104.999 22 6
106.0281 29 8
107.0346 39 10
133.0373 200 52
134.0395 25 6
134.047 1507 391
134.0796 57 15
134.1545 29 8
137.3672 39 10
173.0133 47 12
188.0943 587 152
188.1119 31 8
188.133 34 9
200.0939 827 214
200.1373 45 12
216.9971 23 6
217.9687 23 6
218.0063 52 13
218.1038 3852 999
//