MassBank Record: MSBNK-Keio_Univ-KO000340
ACCESSION: MSBNK-Keio_Univ-KO000340
RECORD_TITLE: 6-Benzylaminopurine; 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 B015
CH$NAME: 6-Benzylaminopurine
CH$NAME: N-Benzyladenine
CH$NAME: N6-Benzyladenine
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C12H11N5
CH$EXACT_MASS: 225.10145
CH$SMILES: C1=CC=C(C=C1)CNC2=NC=NC3=C2NC=N3
CH$IUPAC: InChI=1S/C12H11N5/c1-2-4-9(5-3-1)6-13-11-10-12(15-7-14-10)17-8-16-11/h1-5,7-8H,6H2,(H2,13,14,15,16,17)
CH$LINK: CAS
1214-39-7
CH$LINK: KEGG
C11263
CH$LINK: NIKKAJI
J1.764G
CH$LINK: PUBCHEM
SID:13440
CH$LINK: INCHIKEY
NWBJYWHLCVSVIJ-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID7032630
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 224
MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
PK$SPLASH: splash10-001i-1900000000-3cd72cd7d4abfc7f4c2c
PK$NUM_PEAK: 18
PK$PEAK: m/z int. rel.int.
58.800 84158.5 16
60.100 54455.5 11
65.500 34653.5 7
65.900 400990.5 78
77.700 49505.0 10
78.900 544555.0 105
90.100 133663.5 26
91.300 29703.0 6
104.700 173267.5 34
106.000 1608912.5 311
116.500 24752.5 5
117.000 702971.0 136
117.500 59406.0 11
119.000 54455.5 11
132.100 5163371.5 999
132.900 3673271.0 711
143.700 24752.5 5
207.100 89109.0 17
//