MassBank Record: KO002452



 Benzocaine; LC-ESI-QQ; MS2; CE:50 V; [M+H]+ 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: KO002452
RECORD_TITLE: Benzocaine; LC-ESI-QQ; MS2; CE:50 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 B011

CH$NAME: Benzocaine CH$NAME: Ethyl aminobenzoate CH$COMPOUND_CLASS: N/A CH$FORMULA: C9H11NO2 CH$EXACT_MASS: 165.07898 CH$SMILES: CCOC(=O)c(c1)ccc(N)c1 CH$IUPAC: InChI=1S/C9H11NO2/c1-2-12-9(11)7-3-5-8(10)6-4-7/h3-6H,2,10H2,1H3 CH$LINK: CAS 94-09-7 CH$LINK: KEGG C07527 CH$LINK: NIKKAJI J4.690F CH$LINK: PUBCHEM SID:9730
AC$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 50 V
MS$FOCUSED_ION: PRECURSOR_M/Z 166 MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
PK$SPLASH: splash10-00ou-9000000000-d7f7622c3a270c5ffcbb PK$NUM_PEAK: 19 PK$PEAK: m/z int. rel.int. 28.900 14851.5 2 41.000 108911.0 11 45.200 455446.0 47 51.100 485149.0 50 65.200 6995056.5 723 65.900 519802.5 54 67.100 306931.0 32 73.300 99010.0 10 77.100 9668326.5 999 78.300 34653.5 4 85.300 24752.5 3 91.100 29703.0 3 92.100 4589113.5 474 93.000 1707922.5 176 94.200 490099.5 51 95.000 475248.0 49 105.900 9901.0 1 110.400 108911.0 11 120.200 930694.0 96 //