MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP008509
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP008509
RECORD_TITLE: METHYL 4-METHOXYBENZOATE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: SODA AROMATIC CO., LTD.
LICENSE: CC BY-NC-SA
CH$NAME: METHYL 4-METHOXYBENZOATE
CH$NAME: METHYL ANISATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C9H10O3
CH$EXACT_MASS: 166.06299
CH$SMILES: COc(c1)ccc(c1)C(=O)OC
CH$IUPAC: InChI=1S/C9H10O3/c1-11-8-5-3-7(4-6-8)9(10)12-2/h3-6H,1-2H3
CH$LINK: INCHIKEY
DDIZAANNODHTRB-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID7047645
AC$INSTRUMENT: HITACHI M-80B
AC$INSTRUMENT_TYPE: EI-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION_ENERGY 70 eV
MS$FOCUSED_ION: ION_TYPE [M]+*
PK$SPLASH: splash10-000i-4900000000-d64fd9a65666e73ced8a
PK$NUM_PEAK: 25
PK$PEAK: m/z int. rel.int.
15 2.2 22
29 2.16 22
38 2.31 23
39 1.3 13
50 2.92 29
51 2.04 20
53 1.06 11
62 1.64 16
63 8.21 82
64 8.45 85
65 1.12 11
74 1.64 16
75 1.53 15
76 2.37 24
77 16.62 166
78 1.28 13
79 1.11 11
92 14.88 149
107 8.04 80
123 1.23 12
135 99.99 999
136 10.31 103
165 1.27 13
166 39.28 393
167 3.56 36
//
system version 2.2.8-SNAPSHOT