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MassBank Record: KO002022

trans-Zeatin; LC-ESI-QQ; MS2; CE:50 V; [M-H]-

Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk)

ACCESSION: KO002022
RECORD_TITLE: trans-Zeatin; LC-ESI-QQ; MS2; CE:50 V; [M-H]-
DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10)
AUTHORS: Kakazu Y, Horai H, 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$INSTRUMENT: API3000, Applied Biosystems
AC$INSTRUMENT_TYPE: LC-ESI-QQ
AC$MASS_SPECTROMETRY: MS_TYPE MS2
AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 V

MS$FOCUSED_ION: PRECURSOR_M/Z 218
MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-

PK$SPLASH: splash10-001i-1900000000-f685d83e661ba76c7b5f
PK$NUM_PEAK: 27
PK$PEAK: m/z int. rel.int.
  44.000 163366.5 41
  64.900 64356.5 16
  65.300 103960.5 26
  66.000 297030.0 75
  67.700 64356.5 16
  79.000 445545.0 112
  90.100 193069.5 48
  92.100 1306932.0 328
  105.100 143564.5 36
  106.300 1430694.5 359
  107.100 1851487.0 465
  116.600 64356.5 16
  116.900 1693071.0 425
  117.600 272277.5 68
  119.000 301980.5 76
  132.100 3980202.0 999
  133.200 2321784.5 583
  133.900 1138615.0 286
  144.100 316832.0 80
  146.000 69307.0 17
  158.000 262376.5 66
  159.800 64356.5 16
  171.400 39604.0 10
  171.700 29703.0 7
  184.000 89109.0 22
  186.100 148515.0 37
  200.300 14851.5 4
//

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