MassBank Record: KO002639



 gamma-Butyrobetaine; LC-ESI-QQ; MS2; CE:30 V; [M+H]+ 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: KO002639
RECORD_TITLE: gamma-Butyrobetaine; LC-ESI-QQ; MS2; CE:30 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 30 V
MS$FOCUSED_ION: PRECURSOR_M/Z 146 MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
PK$SPLASH: splash10-000i-9000000000-2c1f817b20a8cbfba00c PK$NUM_PEAK: 29 PK$PEAK: m/z int. rel.int. 41.100 306931.0 4 43.100 9168326.0 126 44.200 103960.5 1 45.100 10069317.0 139 55.100 193069.5 3 58.100 896040.5 12 59.000 1019803.0 14 60.100 18143582.5 250 67.300 19802.0 1 69.300 1509902.5 21 71.100 89109.0 1 71.800 173267.5 2 72.900 34653.5 1 73.300 14851.5 1 77.100 59406.0 1 78.900 14851.5 1 80.700 9901.0 1 83.200 173267.5 2 85.700 54455.5 1 87.000 72509973.5 999 91.000 44554.5 1 93.500 39604.0 1 96.000 14851.5 1 100.200 69307.0 1 111.100 44554.5 1 114.000 24752.5 1 128.000 138614.0 2 144.500 24752.5 1 146.100 1673269.0 23 //