ACCESSION: MSBNK-Keio_Univ-KO004278
RECORD_TITLE: trans-Zeatin; LC-ESI-QQ; MS2; CE:30 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 30 V

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

PK$SPLASH: splash10-000i-0900000000-59732140535260402378
PK$NUM_PEAK: 48
PK$PEAK: m/z int. rel.int.
  40.900 24752.5 2
  43.100 757426.5 52
  57.300 113861.5 8
  63.000 29703.0 2
  64.400 14851.5 1
  67.000 282178.5 19
  69.400 34653.5 2
  71.000 49505.0 3
  71.900 19802.0 1
  72.700 79208.0 5
  79.200 44554.5 3
  80.600 14851.5 1
  83.100 44554.5 3
  84.000 59406.0 4
  84.800 94059.5 6
  86.200 34653.5 2
  87.000 74257.5 5
  91.000 14851.5 1
  94.000 84158.5 6
  97.200 44554.5 3
  101.100 29703.0 2
  109.000 59406.0 4
  112.000 64356.5 4
  112.300 64356.5 4
  114.300 69307.0 5
  119.200 485149.0 33
  121.000 49505.0 3
  122.900 24752.5 2
  124.700 29703.0 2
  128.200 39604.0 3
  133.100 19802.0 1
  135.200 128713.0 9
  136.000 14569321.5 999
  137.100 74257.5 5
  142.800 108911.0 7
  144.900 29703.0 2
  148.200 1232674.5 85
  157.500 59406.0 4
  159.300 212871.5 15
  170.000 19802.0 1
  171.200 49505.0 3
  175.300 89109.0 6
  185.100 668317.5 46
  186.900 59406.0 4
  202.400 321782.5 22
  203.200 123762.5 8
  203.500 34653.5 2
  220.200 237624.0 16
//