MassBank Record: KO002637



 gamma-Butyrobetaine; LC-ESI-QQ; MS2; CE:10 V; [M+H]+ 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: KO002637
RECORD_TITLE: gamma-Butyrobetaine; LC-ESI-QQ; MS2; CE:10 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 10 V
MS$FOCUSED_ION: PRECURSOR_M/Z 146 MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
PK$SPLASH: splash10-0002-0900000000-859205a790bddd439909 PK$NUM_PEAK: 29 PK$PEAK: m/z int. rel.int. 36.300 69307.0 1 43.100 29703.0 1 45.800 9901.0 1 50.100 4415846.0 7 56.300 34653.5 1 60.100 1301981.5 2 64.300 5232678.5 8 68.200 34653.5 1 72.200 34653.5 1 75.300 9901.0 1 78.200 4900995.0 7 82.200 356436.0 1 83.000 262376.5 1 86.100 69307.0 1 87.000 8886147.5 13 91.500 14851.5 1 92.800 39604.0 1 97.000 89109.0 1 99.100 44554.5 1 99.800 504951.0 1 100.500 34653.5 1 103.600 29703.0 1 110.200 84158.5 1 111.000 965347.5 1 113.300 24752.5 1 114.000 495050.0 1 128.000 301980.5 1 129.000 4371291.5 6 146.200 676827409.5 999 //