ACCESSION: MSBNK-Keio_Univ-KO009318
RECORD_TITLE: trans-Zeatin; LC-ESI-IT; MS3; m/z: 220/202; [M+H]+
DATE: 2011.12.05 (Created 2008.05.12)
AUTHORS: Ojima Y, Kakazu Y, Horai H, Soga T, Institute for Advanced Biosciences, Keio Univ.
LICENSE: CC BY-NC-SA
COMMENT: KEIO_ID Z002
COMMENT: [MS2] KO009317

CH$NAME: trans-Zeatin
CH$NAME: N6-(4-Hydroxyisopentenyl)adenine
CH$NAME: Zeatin
CH$NAME: (E)-2-Methyl-4-(1H-purin-6-ylamino)but-2-en-1-ol
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$LINK: CHEBI 16522
CH$LINK: KEGG C00371
CH$LINK: NIKKAJI J7.540J
CH$LINK: PUBCHEM SID:3661
CH$LINK: INCHIKEY UZKQTCBAMSWPJD-FARCUNLSSA-N
CH$LINK: COMPTOX DTXSID9040631

AC$INSTRUMENT: LC/MSD Trap XCT, Agilent Technologies
AC$INSTRUMENT_TYPE: LC-ESI-IT
AC$MASS_SPECTROMETRY: MS_TYPE MS3
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: COLLISION_ENERGY 0.70/0.70

MS$FOCUSED_ION: PRECURSOR_M/Z 220/202
MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
MS$DATA_PROCESSING: WHOLE LC/MSD Trap Control and Data Analysis

PK$SPLASH: splash10-000i-0900000000-55789161b371443d3048
PK$NUM_PEAK: 29
PK$PEAK: m/z int. rel.int.
  67.0 1.69 1
  85.0 2.84 1
  94.1 2.23 1
  109.1 26.53 8
  119.0 10.53 3
  121.0 20.92 6
  132.9 0.92 1
  133.9 0.92 1
  135.1 9.77 3
  136.1 53.85 15
  145.1 2.39 1
  146.0 3.00 1
  148.0 14.00 4
  148.9 4.92 1
  158.1 30.46 9
  159.1 150.58 43
  160.1 8.61 2
  161.1 13.69 4
  170.2 3.38 1
  173.1 48.69 14
  173.9 3.92 1
  175.1 182.46 52
  184.1 1.54 1
  185.1 3496.99 999
  186.1 148.99 43
  187.1 23.38 7
  188.0 4.62 1
  202.2 12.07 3
  203.1 342.04 98
//