MassBank Record: KO002501



 Betaine aldehyde; 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: KO002501
RECORD_TITLE: Betaine aldehyde; 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 B044

CH$NAME: Betaine aldehyde CH$COMPOUND_CLASS: N/A CH$FORMULA: C5H12NO CH$EXACT_MASS: 102.09189 CH$SMILES: O=CC[N+1](C)(C)C CH$IUPAC: InChI=1S/C5H12NO/c1-6(2,3)4-5-7/h5H,4H2,1-3H3/q+1 CH$LINK: CAS 7418-61-3 CH$LINK: CHEBI 15710 CH$LINK: CHEMPDB BTL CH$LINK: KEGG C00576 CH$LINK: PUBCHEM SID:3855
AC$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$FOCUSED_ION: PRECURSOR_M/Z 103 MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
PK$SPLASH: splash10-0a4i-9000000000-692d4006b060a156af58 PK$NUM_PEAK: 5 PK$PEAK: m/z int. rel.int. 35.900 34653.5 250 57.900 138614.0 999 58.400 59406.0 428 66.900 9901.0 71 73.600 54455.5 392 //