MassBank Record: MSBNK-EPA-ENTACT_AGILENT001233
ACCESSION: MSBNK-EPA-ENTACT_AGILENT001233
RECORD_TITLE: Kinetin; ESI-QTOF; MS2; CE: 40; [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 40
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: splash10-0f89-9000000000-9b83dcee19b340f0833e
PK$NUM_PEAK: 11
PK$PEAK: m/z int. rel.int.
44.049476 1.051827 10
51.022927 1.51593 15
53.038577 79.290626 792
53.070939 2.63242 26
54.046402 3.30946 33
73.027063 1.658728 16
81.033491 99.999999 999
81.069877 3.884354 38
81.077087 2.273767 22
82.039974 5.574834 55
119.035223 3.091074 30
//
system version 2.2.8-SNAPSHOT