MassBank Record: KO002640



 gamma-Butyrobetaine; LC-ESI-QQ; MS2; CE:40 V; [M+H]+ 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: KO002640
RECORD_TITLE: gamma-Butyrobetaine; 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 C220

CH$NAME: g-Butyrobetaine CH$NAME: 4-Trimethylammoniobutanoate CH$NAME: gamma-Butyrobetaine CH$COMPOUND_CLASS: N/A CH$FORMULA: C7H15NO2 CH$EXACT_MASS: 145.11028 CH$SMILES: [O-1]C(=O)CCC[N+1](C)(C)C CH$IUPAC: InChI=1S/C7H15NO2/c1-8(2,3)6-4-5-7(9)10/h4-6H2,1-3H3 CH$LINK: CAS 407-64-7 CH$LINK: CHEBI 16244 CH$LINK: KEGG C01181 CH$LINK: NIKKAJI J33.396D CH$LINK: PUBCHEM SID:4408
AC$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 40 V
MS$FOCUSED_ION: PRECURSOR_M/Z 146 MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
PK$SPLASH: splash10-0006-9000000000-8c578b9dc166594a66be PK$NUM_PEAK: 16 PK$PEAK: m/z int. rel.int. 41.000 1049506.0 63 43.100 9475257.0 573 43.900 742575.0 45 44.900 16529719.5 999 54.900 99010.0 6 57.200 29703.0 2 58.100 5207926.0 315 59.200 1529704.5 92 60.200 8727731.5 527 69.000 628713.5 38 70.700 74257.5 4 77.100 64356.5 4 82.900 34653.5 2 85.900 178218.0 11 87.300 6801987.0 411 128.200 34653.5 2 //