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MassBank Record: KO002018

trans-Zeatin; LC-ESI-QQ; MS2; CE:10 V; [M-H]-

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

ACCESSION: KO002018
RECORD_TITLE: trans-Zeatin; LC-ESI-QQ; MS2; CE:10 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 10 V

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

PK$SPLASH: splash10-014i-0090000000-860e5e26a7c78621ff1b
PK$NUM_PEAK: 20
PK$PEAK: m/z int. rel.int.
  78.600 9901.0 1
  92.600 188119.0 2
  124.000 64356.5 1
  132.600 44554.5 1
  133.900 425743.0 5
  149.900 69307.0 1
  156.700 44554.5 1
  158.100 366337.0 4
  159.900 1980200.0 24
  167.000 14851.5 1
  171.300 64356.5 1
  172.100 99010.0 1
  181.700 79208.0 1
  185.100 143564.5 2
  188.100 247525.0 3
  188.700 29703.0 1
  200.000 242574.5 3
  200.500 391089.5 5
  216.100 14851.5 1
  218.300 82683251.0 999
//

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