MassBank Record: KO002021

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trans-Zeatin; LC-ESI-QQ; MS2; CE:40 V; [M-H]-

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

ACCESSION: KO002021
RECORD_TITLE: trans-Zeatin; LC-ESI-QQ; MS2; CE:40 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 40 V

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

PK$SPLASH: splash10-001i-0900000000-40634e98d8610da6da7e
PK$NUM_PEAK: 34
PK$PEAK: m/z int. rel.int.
  43.800 99010.0 11
  45.000 69307.0 7
  46.100 29703.0 3
  65.100 84158.5 9
  65.900 79208.0 8
  78.200 24752.5 3
  79.000 301980.5 32
  80.200 34653.5 4
  90.200 39604.0 4
  92.000 1623764.0 173
  97.100 34653.5 4
  104.500 14851.5 2
  105.900 1257427.0 134
  107.300 3044557.5 324
  116.900 866337.5 92
  118.200 559406.5 60
  118.400 227723.0 24
  124.400 59406.0 6
  132.100 3712875.0 396
  133.000 9376247.0 999
  134.000 6762383.0 721
  144.000 475248.0 51
  144.500 94059.5 10
  146.100 247525.0 26
  158.200 668317.5 71
  158.600 29703.0 3
  160.100 227723.0 24
  171.600 39604.0 4
  172.200 99010.0 11
  173.100 74257.5 8
  184.400 198020.0 21
  186.000 514852.0 55
  188.700 44554.5 5
  200.300 272277.5 29
//