MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP004770
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP004770
RECORD_TITLE: ETHYL 4-OXO-2-PHENYLPENTANOATE; 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$NAME: ETHYL 4-OXO-2-PHENYLPENTANOATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C13H16O3
CH$EXACT_MASS: 220.10994
CH$SMILES: CCOC(=O)C(CC(C)=O)c(c1)cccc1
CH$IUPAC: InChI=1S/C13H16O3/c1-3-16-13(15)12(9-10(2)14)11-7-5-4-6-8-11/h4-8,12H,3,9H2,1-2H3
CH$LINK: INCHIKEY
MPTUXQOIIUTVGD-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID60285816
AC$INSTRUMENT: JEOL JMS-D-3000
AC$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$SPLASH: splash10-0a4i-5390000000-920861c86a9c8d13051f
PK$NUM_PEAK: 30
PK$PEAK: m/z int. rel.int.
40 8.69 87
53 6.14 61
56 30.15 302
57 1.72 17
67 6.71 67
69 2.28 23
77 2.39 24
79 1.88 19
80 1.79 18
81 10.02 100
91 4.4 44
95 6.26 63
105 6.44 64
115 2.69 27
119 3.56 36
121 3.08 31
128 2.25 23
129 2.37 24
131 3.42 34
133 2.13 21
145 11.68 117
149 2.25 23
161 3.97 40
163 2.11 21
177 7.09 71
189 3.65 37
205 99.99 999
206 16 160
220 26.72 267
221 4.5 45
//