MassBank Record: MSBNK-Keio_Univ-KO001445
ACCESSION: MSBNK-Keio_Univ-KO001445
RECORD_TITLE: 6-Methylaminopurine; 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 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 40 V
MS$FOCUSED_ION: PRECURSOR_M/Z 148
MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
PK$SPLASH: splash10-001i-1900000000-7a5ba4a964d60f60ecb0
PK$NUM_PEAK: 19
PK$PEAK: m/z int. rel.int.
52.200 19802.0 3
64.800 89109.0 11
65.100 94059.5 12
65.800 608911.5 79
77.700 34653.5 4
78.100 89109.0 11
78.900 628713.5 81
89.900 237624.0 31
90.300 59406.0 8
92.100 356436.0 46
104.900 227723.0 29
106.200 2099012.0 271
117.000 1227724.0 158
119.200 84158.5 11
131.900 7747532.5 999
132.900 5420797.5 699
143.900 113861.5 15
146.000 178218.0 23
147.800 212871.5 27
//
system version 2.2.6-SNAPSHOT