MassBank Record: KO002448



 Benzocaine; LC-ESI-QQ; MS2; CE:10 V; [M+H]+ 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: KO002448
RECORD_TITLE: Benzocaine; LC-ESI-QQ; MS2; CE:10 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 10 V
MS$FOCUSED_ION: PRECURSOR_M/Z 166 MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
PK$SPLASH: splash10-014i-0900000000-e061a0f4172b47a8bd22 PK$NUM_PEAK: 26 PK$PEAK: m/z int. rel.int. 59.200 108911.0 1 73.100 6173273.5 48 77.400 9901.0 1 79.600 24752.5 1 87.200 94059.5 1 90.200 29703.0 1 91.100 49505.0 1 93.600 94059.5 1 94.100 1138615.0 9 101.300 19802.0 1 101.800 69307.0 1 105.000 653466.0 5 106.200 960397.0 7 106.800 574258.0 4 107.900 39604.0 1 115.600 44554.5 1 117.200 871288.0 7 120.100 4361390.5 34 122.000 148515.0 1 130.200 346535.0 3 131.100 2529705.5 20 134.200 59406.0 1 138.100 33401023.5 258 149.300 27341611.5 211 166.300 129485278.0 999 217.700 24752.5 1 //