MassBank Record: MSBNK-Keio_Univ-KO001398
ACCESSION: MSBNK-Keio_Univ-KO001398
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 NEGATIVE
AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 V
MS$FOCUSED_ION: PRECURSOR_M/Z 164
MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
PK$SPLASH: splash10-0a4i-6900000000-b9b860095178bfbd4cd4
PK$NUM_PEAK: 5
PK$PEAK: m/z int. rel.int.
41.300 79208.0 219
41.800 94059.5 260
66.300 49505.0 137
78.800 49505.0 137
106.300 361386.5 999
//
system version 2.2.6-SNAPSHOT