MassBank Record: MSBNK-Keio_Univ-KO003374
ACCESSION: MSBNK-Keio_Univ-KO003374
RECORD_TITLE: Metformin; LC-ESI-QQ; MS2; CE:30 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 30 V
MS$FOCUSED_ION: PRECURSOR_M/Z 130
MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
PK$SPLASH: splash10-00di-9000000000-ee68820579ebe4d31082
PK$NUM_PEAK: 20
PK$PEAK: m/z int. rel.int.
40.700 24752.5 2
43.200 594060.0 38
44.200 34653.5 2
46.000 787129.5 51
56.000 89109.0 6
57.100 64356.5 4
60.200 3920796.0 252
65.200 14851.5 1
66.800 202970.5 13
68.100 1183169.5 76
69.000 84158.5 5
70.000 79208.0 5
71.000 15524768.0 999
84.200 99010.0 6
85.100 2693072.0 173
88.100 1173268.5 75
95.100 64356.5 4
95.800 113861.5 7
113.100 821783.0 53
130.400 178218.0 11
//