MassBank Record: MSBNK-Keio_Univ-KO004278
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
//