ACCESSION: MSBNK-Keio_Univ-KO004279
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$EXACT_MASS: 219.11201
CH$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 40 V

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

PK$SPLASH: splash10-000i-3900000000-76812b403415131902a1
PK$NUM_PEAK: 30
PK$PEAK: m/z int. rel.int.
  40.900 89109.0 22
  43.000 1153466.5 281
  54.900 19802.0 5
  57.200 118812.0 29
  65.000 64356.5 16
  67.100 341584.5 83
  68.200 19802.0 5
  68.900 39604.0 10
  71.200 24752.5 6
  73.000 59406.0 14
  83.900 74257.5 18
  85.300 29703.0 7
  86.300 19802.0 5
  92.100 69307.0 17
  94.100 198020.0 48
  105.000 94059.5 23
  107.200 54455.5 13
  109.200 94059.5 23
  115.000 19802.0 5
  116.800 19802.0 5
  119.000 1861388.0 454
  120.800 113861.5 28
  128.700 39604.0 10
  134.900 44554.5 11
  136.100 4099014.0 999
  137.000 123762.5 30
  148.200 198020.0 48
  157.500 44554.5 11
  158.200 34653.5 8
  185.000 84158.5 21
//