ACCESSION: MSBNK-RIKEN_ReSpect-PS017502
RECORD_TITLE: Americaine, Ethyl p-aminobenzoate, Anesthesin, Keloform, Amben ethyl ester, Parathesin, Anesthone, 4-Carbethoxyaniline, Anestezin, Topcaine, 4-Aminobenzoic acid ethyl ester, Norcain, Benzocaine solution , Orthesin; LC-ESI-QQ; MS2
DATE: 2009.02.09
AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN
LICENSE: CC BY-NC
COPYRIGHT: Copyright(C) 2008 Plant Science Center, RIKEN
PUBLICATION: Sawada, Y.; Akiyama, K.; Sakata, A.; Kuwahara, A.; Otsuki, H.; Sakurai, T.; Saito, K.; Hirai, M. Y. Widely Targeted Metabolomics Based on Large-Scale MS/MS Data for Elucidating Metabolite Accumulation Patterns in Plants. Plant and Cell Physiology 2008, 50 (1), 37–47. DOI:10.1093/pcp/pcn183
COMMENT: Build 5
COMMENT: Data acquisition and generation is financially supported in part by CREST/JST.
COMMENT: Source compound SIGMA-Aldrich, B7150.
COMMENT: PRIMe compound in-house ID 175
COMMENT: This spectra was automatically generated from the raw data without manual curation of data quality.
COMMENT: The spectral data and services are available to the research and academic community only.
COMMENT: All users must cite follwing literature in publication(s).

CH$NAME: Americaine
CH$NAME: Ethyl p-aminobenzoate
CH$NAME: Anesthesin
CH$NAME: Keloform
CH$NAME: Amben ethyl ester
CH$NAME: Parathesin
CH$NAME: Anesthone
CH$NAME: 4-Carbethoxyaniline
CH$NAME: Anestezin
CH$NAME: Topcaine
CH$NAME: 4-Aminobenzoic acid ethyl ester
CH$NAME: Norcain
CH$NAME: Benzocaine solution
CH$NAME: Orthesin
CH$COMPOUND_CLASS: CLASS1 Other CLASS2 Carboxylic acid CLASS3 Benzamidine
CH$FORMULA: C₉H₁₁NO₂
CH$EXACT_MASS: 165.192
CH$SMILES: CCOC(=O)C1=CC=C(C=C1)N
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: KEGG C07527
CH$LINK: PUBCHEM CID:2337
CH$LINK: INCHIKEY BLFLLBZGZJTVJG-UHFFFAOYSA-N

AC$INSTRUMENT: TQD, Waters
AC$INSTRUMENT_TYPE: LC-ESI-QQ
AC$MASS_SPECTROMETRY: MS_TYPE MS2
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION ESI
AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20

MS$FOCUSED_ION: ION_TYPE [M+H]+
MS$FOCUSED_ION: PRECURSOR_M/Z 166.17

PK$SPLASH: splash10-00kr-0900000000-673d0c318a62d4fad8bc
PK$NUM_PEAK: 5
PK$PEAK: m/z int. rel.int.
  94.0 35438.0 54
  137.0 124467.0 188
  138.0 660741.0 999
  165.0 92023.0 139
  166.0 529441.0 800
//