MassBank Record: MSBNK-Keio_Univ-KO000336
ACCESSION: MSBNK-Keio_Univ-KO000336
RECORD_TITLE: 6-Benzylaminopurine; LC-ESI-QQ; MS2; CE:10 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$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V
MS$FOCUSED_ION: PRECURSOR_M/Z 224
MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
PK$SPLASH: splash10-00di-0090000000-187dcd7d2b7e6ad10113
PK$NUM_PEAK: 8
PK$PEAK: m/z int. rel.int.
133.200 49505.0 1
141.100 227723.0 5
142.200 376238.0 9
177.800 54455.5 1
178.400 64356.5 2
190.500 24752.5 1
191.800 9901.0 1
224.200 42599052.5 999
//
system version 2.2.6-SNAPSHOT