ACCESSION: MSBNK-RIKEN_ReSpect-PS102303
RECORD_TITLE: p-Hydroxyacetanilide, Paracetamol, Abensanil, Valgesic, Dymadon, NAPA, Napafen, Tabalgin, Calpol, Alvedon, Panadol, Acamol, Pyrinazine, Acetaminofen, N-Acetyl-4-aminophenol, Algotropyl, Naprinol, Anaflon, Acetalgin, Amadil, Apamide, 4-Acetamidophenol, Tralgon, Cetadol, Clixodyne, 4'-Hydroxyacetanilide, Tussapap, APAP, Paraacetamol, Anelix, Tylenol, Acetaminophen, Datril, Panets; 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, A5000.
COMMENT: PRIMe compound in-house ID N0081
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$NAME: p-Hydroxyacetanilide
CH$NAME: Paracetamol
CH$NAME: Abensanil
CH$NAME: Valgesic
CH$NAME: Dymadon
CH$NAME: NAPA
CH$NAME: Napafen
CH$NAME: Tabalgin
CH$NAME: Calpol
CH$NAME: Alvedon
CH$NAME: Panadol
CH$NAME: Acamol
CH$NAME: Pyrinazine
CH$NAME: Acetaminofen
CH$NAME: N-Acetyl-4-aminophenol
CH$NAME: Algotropyl
CH$NAME: Naprinol
CH$NAME: Anaflon
CH$NAME: Acetalgin
CH$NAME: Amadil
CH$NAME: Apamide
CH$NAME: 4-Acetamidophenol
CH$NAME: Tralgon
CH$NAME: Cetadol
CH$NAME: Clixodyne
CH$NAME: 4'-Hydroxyacetanilide
CH$NAME: Tussapap
CH$NAME: APAP
CH$NAME: Paraacetamol
CH$NAME: Anelix
CH$NAME: Tylenol
CH$NAME: Acetaminophen
CH$NAME: Datril
CH$NAME: Panets
CH$COMPOUND_CLASS: CLASS1 Other CLASS2 Other CLASS3 Acetaminophen
CH$FORMULA: C₈H₉NO₂
CH$EXACT_MASS: 151.165
CH$SMILES: CC(=O)NC1=CC=C(C=C1)O
CH$IUPAC: InChI=1S/C8H9NO2/c1-6(10)9-7-2-4-8(11)5-3-7/h2-5,11H,1H3,(H,9,10)
CH$LINK: CAS 103-90-2
CH$LINK: KEGG C06804
CH$LINK: PUBCHEM CID:1983
CH$LINK: INCHIKEY RZVAJINKPMORJF-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 30

MS$FOCUSED_ION: ION_TYPE [M+H]+
MS$FOCUSED_ION: PRECURSOR_M/Z 152.14

PK$SPLASH: splash10-03dl-5900000000-6bea960aa1e6cbc843f2
PK$NUM_PEAK: 10
PK$PEAK: m/z int. rel.int.
  42.0 10748.0 132
  43.0 17361.0 214
  65.0 9631.0 118
  70.0 5929.0 73
  92.0 8175.0 101
  93.0 22874.0 281
  109.0 24724.0 304
  110.0 81193.0 999
  151.0 8017.0 99
  152.0 13589.0 167
//