MassBank Record: MSBNK-Keio_Univ-KO001446
ACCESSION: MSBNK-Keio_Univ-KO001446
RECORD_TITLE: 6-Methylaminopurine; 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 M072
CH$NAME: 6-Methylaminopurine
CH$NAME: N6-Methyladenine
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C6H7N5
CH$EXACT_MASS: 149.07015
CH$SMILES: CNC1=NC=NC2=C1NC=N2
CH$IUPAC: InChI=1S/C6H7N5/c1-7-5-4-6(10-2-8-4)11-3-9-5/h2-3H,1H3,(H2,7,8,9,10,11)
CH$LINK: CAS
443-72-1
CH$LINK: KEGG
C08434
CH$LINK: NIKKAJI
J128.125I
CH$LINK: PUBCHEM
SID:10629
CH$LINK: INCHIKEY
CKOMXBHMKXXTNW-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID1020857
AC$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$FOCUSED_ION: PRECURSOR_M/Z 148
MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
PK$SPLASH: splash10-00lr-6900000000-a9aecd02881bc63a44cf
PK$NUM_PEAK: 16
PK$PEAK: m/z int. rel.int.
26.000 9901.0 5
41.400 39604.0 21
63.800 247525.0 130
65.600 193069.5 101
66.100 1089110.0 572
78.100 64356.5 34
78.900 227723.0 120
90.000 559406.5 294
91.100 64356.5 34
92.000 123762.5 65
105.000 183168.5 96
105.900 500000.5 263
117.000 603961.0 317
132.100 1900992.0 999
133.000 485149.0 255
144.300 54455.5 29
//
system version 2.2.8-SNAPSHOT