MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP008510
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP008510
RECORD_TITLE: ETHYL 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$NAME: ETHYL 4-METHOXYBENZOATE
CH$NAME: ETHYL ANISATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C10H12O3
CH$EXACT_MASS: 180.07864
CH$SMILES: CCOC(=O)c(c1)ccc(OC)c1
CH$IUPAC: InChI=1S/C10H12O3/c1-3-13-10(11)8-4-6-9(12-2)7-5-8/h4-7H,3H2,1-2H3
CH$LINK: INCHIKEY
FHUODBDRWMIBQP-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID4059099
AC$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-3900000000-83ce4033728cb10b804b
PK$NUM_PEAK: 26
PK$PEAK: m/z int. rel.int.
27 3.06 31
29 2.61 26
38 1.58 16
39 1.17 12
50 2.38 24
51 1.73 17
53 1.01 10
62 1.14 11
63 6.57 66
64 8.17 82
65 1.77 18
74 1.12 11
75 1.21 12
76 2 20
77 14.45 145
78 1.25 13
92 13.15 132
107 6.72 67
108 1.21 12
135 99.99 999
136 12.08 121
152 16.63 166
153 1.39 14
165 1.61 16
180 26.81 268
181 2.7 27
//