Maintenance 2022-01-29. All services on msbi.ipb-halle.de may experience downtime
MassBank MassBank Search Contents Download

MassBank Record: JP010380

(4-METHOXYPHENYL)ACETIC ACID; EI-B; MS

Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk)

ACCESSION: JP010380
RECORD_TITLE: (4-METHOXYPHENYL)ACETIC ACID; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: MASS SPECTROSCOPY SOC. OF JAPAN (MSSJ)
LICENSE: CC BY-NC-SA

CH$NAME: (4-METHOXYPHENYL)ACETIC ACID
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C9H10O3
CH$EXACT_MASS: 166.06299
CH$SMILES: COc(c1)ccc(c1)CC(O)=O
CH$IUPAC: InChI=1S/C9H10O3/c1-12-8-4-2-7(3-5-8)6-9(10)11/h2-5H,6H2,1H3,(H,10,11)
CH$LINK: INCHIKEY NRPFNQUDKRYCNX-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID1059288

AC$INSTRUMENT: HITACHI RMU-6M
AC$INSTRUMENT_TYPE: EI-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION_ENERGY 20 eV

MS$FOCUSED_ION: ION_TYPE [M]+*

PK$SPLASH: splash10-00di-1900000000-3f38b31d62021162fa79
PK$NUM_PEAK: 16
PK$PEAK: m/z int. rel.int.
  41 1 10
  43 3.1 31
  55 1.3 13
  56 0.13 1
  57 1.3 13
  58 1.3 13
  60 1.1 11
  71 0.11 1
  77 3.8 38
  78 1.7 17
  91 5.5 55
  121 99.99 999
  122 9.8 98
  123 0.7 7
  166 37.7 377
  167 4.2 42
//

system version 2.1.10-SNAPSHOT
Copyright © 2006 MassBank Project; 2011 NORMAN Association; 2021 MassBank Consortium