MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP010380
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-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 2.2.8-SNAPSHOT