MassBank Record: MSBNK-Keio_Univ-KO002022
ACCESSION: MSBNK-Keio_Univ-KO002022
RECORD_TITLE: trans-Zeatin; LC-ESI-QQ; MS2; CE:50 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$MASS_SPECTROMETRY: COLLISION_ENERGY 50 V
MS$FOCUSED_ION: PRECURSOR_M/Z 218
MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
PK$SPLASH: splash10-001i-1900000000-f685d83e661ba76c7b5f
PK$NUM_PEAK: 27
PK$PEAK: m/z int. rel.int.
44.000 163366.5 41
64.900 64356.5 16
65.300 103960.5 26
66.000 297030.0 75
67.700 64356.5 16
79.000 445545.0 112
90.100 193069.5 48
92.100 1306932.0 328
105.100 143564.5 36
106.300 1430694.5 359
107.100 1851487.0 465
116.600 64356.5 16
116.900 1693071.0 425
117.600 272277.5 68
119.000 301980.5 76
132.100 3980202.0 999
133.200 2321784.5 583
133.900 1138615.0 286
144.100 316832.0 80
146.000 69307.0 17
158.000 262376.5 66
159.800 64356.5 16
171.400 39604.0 10
171.700 29703.0 7
184.000 89109.0 22
186.100 148515.0 37
200.300 14851.5 4
//