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MassBank Record: KO002020

trans-Zeatin; LC-ESI-QQ; MS2; CE:30 V; [M-H]-

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

ACCESSION: KO002020
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 NEGATIVE
AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V

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

PK$SPLASH: splash10-001i-0900000000-73c2883cf4c5c86e5202
PK$NUM_PEAK: 43
PK$PEAK: m/z int. rel.int.
  43.900 74257.5 4
  44.800 59406.0 3
  46.300 29703.0 1
  59.300 69307.0 3
  70.800 49505.0 2
  79.300 84158.5 4
  88.100 44554.5 2
  91.900 886139.5 44
  98.400 29703.0 1
  106.100 321782.5 16
  107.200 1539605.5 76
  114.000 103960.5 5
  115.200 138614.0 7
  115.900 653466.0 32
  116.900 222772.5 11
  118.200 356436.0 18
  119.200 54455.5 3
  120.700 34653.5 2
  124.300 74257.5 4
  132.200 712872.0 35
  133.000 15331698.5 758
  134.000 20202990.5 999
  140.900 19802.0 1
  144.000 445545.0 22
  145.500 94059.5 5
  146.000 361386.5 18
  148.400 29703.0 1
  156.900 54455.5 3
  157.900 544555.0 27
  159.500 108911.0 5
  160.200 410891.5 20
  172.400 133663.5 7
  173.100 341584.5 17
  183.000 19802.0 1
  184.200 168317.0 8
  186.100 405941.0 20
  187.100 212871.5 11
  188.200 1371288.5 68
  190.400 19802.0 1
  198.400 99010.0 5
  200.500 2990102.0 148
  216.300 39604.0 2
  218.300 683169.0 34
//

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