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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)

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$LINK: PUBCHEM SID:9730
CH$LINK: INCHIKEY BLFLLBZGZJTVJG-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID8021804

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
//

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