MassBank Record: MSBNK-Keio_Univ-KO003416
ACCESSION: MSBNK-Keio_Univ-KO003416
RECORD_TITLE: 7-Methylguanine; 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 M043
CH$NAME: 7-Methylguanine
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C6H7N5O
CH$EXACT_MASS: 165.06506
CH$SMILES: NC(N1)=Nc(n2)c(n(C)c2)C(=O)1
CH$IUPAC: InChI=1S/C6H7N5O/c1-11-2-8-4-3(11)5(12)10-6(7)9-4/h2H,1H3,(H3,7,9,10,12)
CH$LINK: CAS
578-76-7
CH$LINK: KEGG
C02242
CH$LINK: NIKKAJI
J101.566D
CH$LINK: PUBCHEM
SID:5305
CH$LINK: INCHIKEY
FZWGECJQACGGTI-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID9020873
AC$INSTRUMENT: API3000, Applied Biosystems
AC$INSTRUMENT_TYPE: LC-ESI-QQ
AC$MASS_SPECTROMETRY: MS_TYPE MS2
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 V
MS$FOCUSED_ION: PRECURSOR_M/Z 166
MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
PK$SPLASH: splash10-014j-9000000000-6839d2db013069231e1e
PK$NUM_PEAK: 13
PK$PEAK: m/z int. rel.int.
40.900 133663.5 346
45.100 386139.0 999
59.200 29703.0 77
66.900 237624.0 615
68.300 79208.0 205
69.300 212871.5 551
73.000 99010.0 256
79.300 222772.5 576
84.400 59406.0 154
93.800 39604.0 102
106.300 29703.0 77
107.300 34653.5 90
124.300 79208.0 205
//
system version 2.2.6-SNAPSHOT