ACCESSION: MSBNK-Keio_Univ-KO004277
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: 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 20 V

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

PK$SPLASH: splash10-0079-0980000000-71f5c1676966e90a2d17
PK$NUM_PEAK: 42
PK$PEAK: m/z int. rel.int.
  43.100 123762.5 8
  56.900 59406.0 4
  66.900 49505.0 3
  70.900 44554.5 3
  83.200 74257.5 5
  85.200 143564.5 9
  87.000 59406.0 4
  90.300 39604.0 3
  91.400 29703.0 2
  95.500 29703.0 2
  96.900 39604.0 3
  98.700 44554.5 3
  105.300 39604.0 3
  106.800 9901.0 1
  109.100 14851.5 1
  114.000 44554.5 3
  119.100 103960.5 7
  124.800 39604.0 3
  129.000 128713.0 9
  135.000 84158.5 6
  136.100 15103975.5 999
  139.000 14851.5 1
  141.100 54455.5 4
  142.400 34653.5 2
  143.000 84158.5 6
  147.300 54455.5 4
  148.300 2425745.0 160
  148.900 24752.5 2
  152.400 24752.5 2
  156.900 34653.5 2
  158.900 79208.0 5
  164.200 64356.5 4
  169.500 14851.5 1
  170.300 29703.0 2
  171.400 84158.5 6
  174.900 133663.5 9
  185.200 1014852.5 67
  188.300 138614.0 9
  202.300 4801985.0 318
  203.200 569307.5 38
  205.100 19802.0 1
  220.300 13777241.5 911
//