MassBank Record: WA000169



 1-Naphthaleneacetic acid; LC-ESI-QQ; MS2; CE:20 V; [M-H]- 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: WA000169
RECORD_TITLE: 1-Naphthaleneacetic acid; LC-ESI-QQ; MS2; CE:20 V; [M-H]-
DATE: 2016.01.19 (2007.08.01, 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
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 //