MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP009647
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP009647
RECORD_TITLE: ETHYL 4-METHYLPHENYLACETATE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: THE INSTITUTE OF SCIENTIFIC AND INDUSTRIALRESEARCH
LICENSE: CC BY-NC-SA
CH$NAME: ETHYL 4-METHYLPHENYLACETATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C11H14O2
CH$EXACT_MASS: 178.09938
CH$SMILES: CCOC(=O)Cc(c1)ccc(C)c1
CH$IUPAC: InChI=1S/C11H14O2/c1-3-13-11(12)8-10-6-4-9(2)5-7-10/h4-7H,3,8H2,1-2H3
CH$LINK: INCHIKEY
BTRGZBIXPLFVNK-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID20161445
AC$INSTRUMENT: JEOL JMS-DX-300
AC$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$SPLASH: splash10-0a4i-4900000000-2f7483e6df709d7749aa
PK$NUM_PEAK: 23
PK$PEAK: m/z int. rel.int.
27 7.7 77
29 15.9 159
31 1 10
39 0.3 3
43 1.1 11
51 3.4 34
52 1.4 14
53 0.19 2
63 1.9 19
65 2.5 25
77 13.8 138
78 0.68 7
79 8.9 89
89 1.1 11
91 3.7 37
102 0.1 1
103 9 90
104 7.3 73
105 99.99 999
106 1.05 11
133 1.4 14
178 19.8 198
179 2.4 24
//