MassBank Record: KO002451



 Benzocaine; 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: KO002451
RECORD_TITLE: Benzocaine; 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 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 40 V
MS$FOCUSED_ION: PRECURSOR_M/Z 166 MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
PK$SPLASH: splash10-002f-9100000000-e16fc2db7a632fc6f4da PK$NUM_PEAK: 27 PK$PEAK: m/z int. rel.int. 41.100 242574.5 13 43.300 74257.5 4 44.900 712872.0 37 51.100 89109.0 5 57.200 29703.0 2 59.200 366337.0 19 65.200 4306935.0 224 66.100 163366.5 8 66.900 386139.0 20 73.000 1153466.5 60 77.100 19242593.5 999 77.900 74257.5 4 78.900 59406.0 3 84.300 94059.5 5 84.600 19802.0 1 91.400 103960.5 5 91.900 17148532.0 890 93.200 3089112.0 160 94.100 6351491.5 330 94.900 1346536.0 70 98.600 14851.5 1 105.200 108911.0 6 107.800 29703.0 2 110.000 420792.5 22 113.900 19802.0 1 120.200 10816842.5 562 137.900 44554.5 2 //