MassBank Record: MSBNK-EPA-ENTACT_AGILENT001231
ACCESSION: MSBNK-EPA-ENTACT_AGILENT001231
RECORD_TITLE: Kinetin; ESI-QTOF; MS2; CE: 20; [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 NEGATIVE
AC$MASS_SPECTROMETRY: IONIZATION ESI
AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20
MS$FOCUSED_ION: PRECURSOR_M/Z 214.0734334947
MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
MS$DATA_PROCESSING: WHOLE Agilent ChemVista Version 1.0
PK$SPLASH: splash10-001i-0900000000-c5cdc6dbc677449ba7b2
PK$NUM_PEAK: 22
PK$PEAK: m/z int. rel.int.
66.009771 2.465462 24
79.017596 1.364978 13
92.025421 3.356624 33
106.028495 6.429132 64
107.03632 6.933259 69
117.02067 6.361652 63
118.028495 1.739085 17
132.031569 18.113215 180
133.039394 99.999997 999
134.047219 62.748985 626
135.04381 4.045417 40
142.041071 1.591452 15
144.031569 1.322528 13
146.047219 1.248484 12
158.047219 1.387853 13
160.062869 1.179169 11
169.05197 2.651144 26
170.047219 4.376997 43
186.078519 3.514048 35
196.062869 11.278587 112
197.070694 1.318404 13
214.073433 15.742626 157
//