MassBank Record: MSBNK-EPA-ENTACT_AGILENT001230
ACCESSION: MSBNK-EPA-ENTACT_AGILENT001230
RECORD_TITLE: Kinetin; ESI-QTOF; MS2; CE: 10; [M+H]+
DATE: 2023.09.19
AUTHORS: EPA CCTE and Agilent Technologies
LICENSE: CC BY
CH$NAME: Kinetin
CH$NAME: DTXSID9035175
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C10H9N5O
CH$EXACT_MASS: 215.0807099464
CH$SMILES: C(NC1NC=NC2=NC=NC2=1)C1=CC=CO1
CH$IUPAC: InChI=1S/C10H9N5O/c1-2-7(16-3-1)4-11-9-8-10(13-5-12-8)15-6-14-9/h1-3,5-6H,4H2,(H2,11,12,13,14,15)
CH$LINK: CAS
525-79-1
CH$LINK: INCHIKEY
QANMHLXAZMSUEX-UHFFFAOYSA-N
CH$LINK: PUBCHEM
CID:3830
AC$INSTRUMENT: N/A
AC$INSTRUMENT_TYPE: ESI-QTOF
AC$MASS_SPECTROMETRY: MS_TYPE MS2
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION ESI
AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10
MS$FOCUSED_ION: PRECURSOR_M/Z 216.0879863981
MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
MS$DATA_PROCESSING: WHOLE Agilent ChemVista Version 1.0
PK$SPLASH: splash10-0159-6290000000-b1ac59f2f8d273f26c2e
PK$NUM_PEAK: 11
PK$PEAK: m/z int. rel.int.
53.038577 1.49988 14
81.033491 67.135341 670
81.069877 3.087303 30
81.077087 1.736763 17
82.039974 3.576385 35
136.061772 1.091224 10
148.061772 16.121265 161
149.069597 1.322941 13
173.069597 1.388864 13
188.093072 3.364279 33
216.087986 99.999997 999
//