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$EXACT_MASS: 219.11200999999999794454197399318218231201171875
CH$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.
  45.500 24752.5 1
  88.000 24752.5 1
  93.000 183168.5 7
  98.100 29703.0 1
  102.800 14851.5 1
  107.200 108911.0 4
  113.900 89109.0 4
  114.800 39604.0 2
  116.000 361386.5 14
  117.600 14851.5 1
  132.300 188119.0 8
  133.000 3188122.0 128
  133.900 19079227.0 765
  135.900 34653.5 1
  142.200 29703.0 1
  143.600 44554.5 2
  144.100 69307.0 3
  146.100 103960.5 4
  147.100 39604.0 2
  148.000 44554.5 2
  150.300 143564.5 6
  157.100 54455.5 2
  158.400 292079.5 12
  160.100 2534656.0 102
  171.300 19802.0 1
  172.200 89109.0 4
  173.600 49505.0 2
  175.400 29703.0 1
  182.100 64356.5 3
  185.000 168317.0 7
  187.100 158416.0 6
  188.400 5623768.0 225
  190.600 54455.5 2
  200.400 7683176.0 308
  216.200 143564.5 6
  216.500 89109.0 4
  218.300 24920817.0 999
//