ACCESSION: MSBNK-Keio_Univ-KO009317
RECORD_TITLE: trans-Zeatin; LC-ESI-IT; MS2; m/z: 220; [M+H]+
DATE: 2011.05.10 (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

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$MASS_SPECTROMETRY: MS_TYPE MS2
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: COLLISION_ENERGY 0.70

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

PK$SPLASH: splash10-0udr-0980000000-2e91e9251b00df2a9a5a
PK$ANNOTATION: m/z struct. num formula mass
  136.1 1 1 C5H6N5 136.06232
  148.1 1 1 C6H6N5 148.06232
  202.1 1 1 C10H12N5 202.10927
PK$NUM_PEAK: 51
PK$PEAK: m/z int. rel.int.
  58.1 57.36 1
  66.8 11.62 1
  80.0 64.67 1
  84.2 487.49 1
  85.1 900.25 2
  94.1 172.42 1
  95.0 35.36 1
  107.1 99.80 1
  109.1 30.58 1
  112.1 107.65 1
  113.1 36.32 1
  119.1 746.17 2
  120.9 49.33 1
  131.9 76.75 1
  133.0 75.08 1
  135.1 353.92 1
  136.1 224804.62 602
  137.0 443.61 1
  138.6 62.88 1
  145.1 77.39 1
  146.1 29.60 1
  147.4 96.01 1
  148.1 127914.40 343
  150.0 66.29 1
  158.1 517.15 1
  159.0 1491.56 4
  160.1 307.89 1
  161.1 202.14 1
  163.1 26.67 1
  164.1 23.91 1
  165.1 49.93 1
  170.4 18.43 1
  173.2 964.38 3
  175.1 2648.85 7
  178.7 38.88 1
  183.6 20.84 1
  185.1 48635.11 130
  187.0 687.48 2
  191.1 137.53 1
  192.0 52.72 1
  192.9 14.24 1
  199.9 97.04 1
  201.2 391.23 1
  202.1 372932.73 999
  203.1 990.12 3
  205.1 20.46 1
  220.1 12265.88 33
  221.0 27.53 1
  222.0 25.53 1
  233.7 82.05 1
  264.6 168.42 1
//