ACCESSION: MSBNK-Keio_Univ-KO004276
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 POSITIVE
AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V

MS$FOCUSED_ION: PRECURSOR_M/Z 220
MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+

PK$SPLASH: splash10-00di-0090000000-dd1e015f41cf26595e40
PK$NUM_PEAK: 31
PK$PEAK: m/z int. rel.int.
  85.700 44554.5 1
  86.200 89109.0 1
  87.000 94059.5 1
  90.900 34653.5 1
  98.900 54455.5 1
  100.000 34653.5 1
  102.200 34653.5 1
  105.400 29703.0 1
  113.100 59406.0 1
  117.900 14851.5 1
  124.300 34653.5 1
  125.100 44554.5 1
  128.700 49505.0 1
  130.100 19802.0 1
  134.200 39604.0 1
  136.000 470297.5 7
  137.500 14851.5 1
  138.800 14851.5 1
  140.900 44554.5 1
  142.900 54455.5 1
  146.500 44554.5 1
  148.000 227723.0 3
  159.900 54455.5 1
  169.900 59406.0 1
  170.800 64356.5 1
  184.300 49505.0 1
  185.100 386139.0 6
  188.200 430693.5 6
  202.500 1054456.5 16
  203.400 2306933.0 34
  220.200 67782246.0 999
//