MassBank Record: KO002450



 Benzocaine; 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: KO002450
RECORD_TITLE: Benzocaine; 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 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 30 V
MS$FOCUSED_ION: PRECURSOR_M/Z 166 MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
PK$SPLASH: splash10-00dl-9600000000-049e2653cbbf24aaf010 PK$NUM_PEAK: 32 PK$PEAK: m/z int. rel.int. 29.300 19802.0 1 40.900 346535.0 8 43.300 89109.0 2 44.900 1029704.0 23 55.300 29703.0 1 57.100 44554.5 1 59.000 618812.5 14 63.300 19802.0 1 64.900 410891.5 9 67.200 292079.5 7 69.300 34653.5 1 73.000 6579214.5 148 74.800 29703.0 1 77.000 11871299.0 268 77.800 54455.5 1 84.400 163366.5 4 87.100 59406.0 1 88.900 49505.0 1 92.200 8787137.5 198 93.000 2123764.5 48 94.100 29396069.0 662 95.000 1217823.0 27 102.900 34653.5 1 105.400 49505.0 1 110.000 188119.0 4 120.100 44331727.5 999 121.000 39604.0 1 123.300 24752.5 1 130.300 69307.0 2 137.300 69307.0 2 138.300 2415844.0 54 149.200 59406.0 1 //