MassBank Record: MSBNK-Washington_State_Univ-BML00900
ACCESSION: MSBNK-Washington_State_Univ-BML00900
RECORD_TITLE: trans-Zeatin; 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 0.442
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 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$CHROMATOGRAPHY: RETENTION_TIME 3.241
AC$CHROMATOGRAPHY: SOLVENT A water with 0.2% acetic acid
AC$CHROMATOGRAPHY: SOLVENT B methanol with 0.2% acetic acid
MS$FOCUSED_ION: BASE_PEAK 132
MS$FOCUSED_ION: PRECURSOR_M/Z 218.1047
MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
PK$SPLASH: splash10-001i-0900000000-916fa5a85cf88a795576
PK$NUM_PEAK: 22
PK$PEAK: m/z int. rel.int.
105.0204 76 54
106.0286 452 321
107.0362 571 406
111.4156 29 21
117.0218 427 304
118.0279 65 46
119.0375 144 102
124.8583 28 20
130.0319 23 16
132.031 1405 999
132.0712 34 24
133.0395 848 603
133.0714 30 21
134.0455 617 439
144.037 58 41
146.0517 112 80
147.5352 22 16
158.0066 35 25
158.0465 93 66
174.1394 29 21
184.0642 23 16
186.0776 112 80
//