ACCESSION: MSBNK-Waters-WA000169
RECORD_TITLE: 1-Naphthaleneacetic acid; LC-ESI-QQ; MS2; CE:20 V; [M-H]-
DATE: 2016.01.19 (Created 2007.08.01, modified 2011.05.06)
AUTHORS: Nihon Waters K.K.
LICENSE: CC BY-NC

CH$NAME: 1-Naphthaleneacetic acid
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₂H₁₀O₂
CH$EXACT_MASS: 186.06808
CH$SMILES: OC(=O)Cc(c1)c(c2)c(ccc2)cc1
CH$IUPAC: InChI=1S/C12H10O2/c13-12(14)8-10-6-3-5-9-4-1-2-7-11(9)10/h1-7H,8H2,(H,13,14)
CH$LINK: CAS 86-87-3
CH$LINK: INCHIKEY PRPINYUDVPFIRX-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID8020915

AC$INSTRUMENT: QuattroPremier XE, Waters
AC$INSTRUMENT_TYPE: LC-ESI-QQ
AC$MASS_SPECTROMETRY: MS_TYPE MS2
AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V

MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
MS$FOCUSED_ION: PRECURSOR_M/Z 184.9
MS$DATA_PROCESSING: FIND_PEAK ignore rel.int. < 5

PK$SPLASH: splash10-0006-0900000000-4ec4beccf54c9168b288
PK$NUM_PEAK: 16
PK$PEAK: m/z int. rel.int.
  101 8 8
  110 8 8
  112 8 8
  115 8 8
  136 8 8
  141 999 999
  152 8 8
  169 8 8
  175 8 8
  184 8 8
  197 8 8
  202 8 8
  226 8 8
  230 8 8
  242 8 8
  245 8 8
//