MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP001648
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP001648
RECORD_TITLE: ETHYL PARA-METHOXYBENZOATE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: TAJIMA S, GUNMA COLLEGE OF TECHNOLOGY
LICENSE: CC BY-NC-SA
CH$NAME: ETHYL PARA-METHOXYBENZOATE
CH$NAME: PARA-METHOXYBENZOIC ACID ETHYL ESTER
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 RMU-7M
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-4900000000-7cf2064b76af6cfd64cc
PK$NUM_PEAK: 30
PK$PEAK: m/z int. rel.int.
15 0.76 8
27 3.46 35
28 1.59 16
29 3.94 39
38 2.14 21
39 1.94 19
50 3.73 37
51 2.35 24
53 1.38 14
62 1.31 13
63 7.12 71
64 10.24 102
65 2.42 24
74 1.24 12
75 1.31 13
76 2.49 25
77 20.06 201
78 1.94 19
79 1.59 16
92 13.42 134
107 13.97 140
108 1.87 19
135 99.99 999
136 10.86 109
152 19.36 194
153 1.52 15
165 1.94 19
166 1.52 15
180 17.01 170
181 1.66 17
//