MassBank Record: MSBNK-Keio_Univ-KO003376
ACCESSION: MSBNK-Keio_Univ-KO003376
RECORD_TITLE: Metformin; LC-ESI-QQ; MS2; CE:50 V; [M+H]+
DATE: 2016.01.19 (Created 2007.08.31, modified 2011.05.10)
AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ.
LICENSE: CC BY-NC-SA
COMMENT: KEIO_ID M032
CH$NAME: Metformin
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C4H11N5
CH$EXACT_MASS: 129.10145
CH$SMILES: NC(=N)NC(=N)N(C)C
CH$IUPAC: InChI=1S/C4H11N5/c1-9(2)4(7)8-3(5)6/h1-2H3,(H5,5,6,7,8)
CH$LINK: KEGG
C07151
CH$LINK: INCHIKEY
XZWYZXLIPXDOLR-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID2023270
AC$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$FOCUSED_ION: PRECURSOR_M/Z 130
MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
PK$SPLASH: splash10-00di-9000000000-a112b8bb95bd75e1ce02
PK$NUM_PEAK: 11
PK$PEAK: m/z int. rel.int.
43.000 693070.0 316
44.200 108911.0 50
46.200 237624.0 108
55.200 420792.5 192
56.100 509901.5 232
60.100 74257.5 34
68.100 940595.0 428
70.100 54455.5 25
71.100 2193071.5 999
84.900 74257.5 34
113.100 14851.5 7
//