MassBank Record: MSBNK-Keio_Univ-KO002461
ACCESSION: MSBNK-Keio_Univ-KO002461
RECORD_TITLE: 6-Benzylaminopurine; LC-ESI-QQ; MS2; CE:40 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 POSITIVE
AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 V
MS$FOCUSED_ION: PRECURSOR_M/Z 226
MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
PK$SPLASH: splash10-0006-9000000000-56177b73949cf0e41d53
PK$NUM_PEAK: 36
PK$PEAK: m/z int. rel.int.
44.600 89109.0 2
55.500 24752.5 1
59.800 14851.5 1
65.100 212871.5 5
68.900 39604.0 1
70.200 34653.5 1
74.200 14851.5 1
77.300 39604.0 1
78.900 64356.5 2
81.000 79208.0 2
82.200 34653.5 1
85.200 64356.5 2
86.700 49505.0 1
91.100 42173309.5 999
93.100 79208.0 2
97.300 39604.0 1
102.700 24752.5 1
105.100 74257.5 2
106.900 39604.0 1
109.400 54455.5 1
110.000 44554.5 1
119.000 69307.0 2
120.200 29703.0 1
121.300 24752.5 1
130.200 19802.0 1
133.900 282178.5 7
134.900 217822.0 5
138.300 19802.0 1
146.300 29703.0 1
148.200 153465.5 4
149.000 19802.0 1
151.900 84158.5 2
153.300 34653.5 1
156.900 44554.5 1
165.300 59406.0 1
166.200 94059.5 2
//
system version 2.2.6-SNAPSHOT