MassBank Record: KO002638



 gamma-Butyrobetaine; LC-ESI-QQ; MS2; CE:20 V; [M+H]+ 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: KO002638
RECORD_TITLE: gamma-Butyrobetaine; LC-ESI-QQ; MS2; CE:20 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 20 V
MS$FOCUSED_ION: PRECURSOR_M/Z 146 MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
PK$SPLASH: splash10-000j-9500000000-2244afa7512434be351d PK$NUM_PEAK: 30 PK$PEAK: m/z int. rel.int. 39.200 39604.0 1 42.900 1034654.5 6 44.800 544555.0 3 54.700 74257.5 1 58.100 39604.0 1 60.200 28009929.0 166 60.800 49505.0 1 64.300 34653.5 1 69.300 930694.0 6 70.900 163366.5 1 72.000 188119.0 1 78.400 64356.5 1 81.800 59406.0 1 83.400 603961.0 4 86.200 202970.5 1 87.000 169024921.5 999 91.000 29703.0 1 92.900 123762.5 1 96.800 59406.0 1 100.000 173267.5 1 100.400 29703.0 1 104.000 74257.5 1 105.000 113861.5 1 111.300 569307.5 3 114.500 173267.5 1 118.800 19802.0 1 128.000 138614.0 1 129.200 440594.5 3 145.700 3396043.0 20 146.200 125411016.5 741 //