MassBank Record: KO002019

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trans-Zeatin; LC-ESI-QQ; MS2; CE:20 V; [M-H]-

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

ACCESSION: KO002019
RECORD_TITLE: trans-Zeatin; LC-ESI-QQ; MS2; CE:20 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: COMPTOX DTXSID9040631
CH$LINK: INCHIKEY UZKQTCBAMSWPJD-FARCUNLSSA-N
CH$LINK: KEGG C00371
CH$LINK: NIKKAJI J7.540J
CH$LINK: PUBCHEM SID:3661

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 20 V

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

PK$SPLASH: splash10-0159-0890000000-e0d9da4d76a19fdcc38e
PK$NUM_PEAK: 37
PK$PEAK: m/z int. rel.int.
  45.5 24752.5 1.0
  88.0 24752.5 1.0
  93.0 183168.0 7.0
  98.1 29703.0 1.0
  102.8 14851.5 1.0
  107.2 108911.0 4.0
  113.9 89109.0 4.0
  114.8 39604.0 2.0
  116.0 361386.0 14.0
  117.6 14851.5 1.0
  132.3 188119.0 8.0
  133.0 3188120.0 128.0
  133.9 1.90792E7 765.0
  135.9 34653.5 1.0
  142.2 29703.0 1.0
  143.6 44554.5 2.0
  144.1 69307.0 3.0
  146.1 103960.0 4.0
  147.1 39604.0 2.0
  148.0 44554.5 2.0
  150.3 143564.0 6.0
  157.1 54455.5 2.0
  158.4 292080.0 12.0
  160.1 2534660.0 102.0
  171.3 19802.0 1.0
  172.2 89109.0 4.0
  173.6 49505.0 2.0
  175.4 29703.0 1.0
  182.1 64356.5 3.0
  185.0 168317.0 7.0
  187.1 158416.0 6.0
  188.4 5623770.0 225.0
  190.6 54455.5 2.0
  200.4 7683180.0 308.0
  216.2 143564.0 6.0
  216.5 89109.0 4.0
  218.3 2.49208E7 999.0
//