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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)

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$LINK: PUBCHEM SID:9730
CH$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 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
//

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