MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP005215
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP005215
RECORD_TITLE: ETHYL PHENYLACETATE; CI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: YAMAMOTO M, DEP. CHEMISTRY, FAC. SCIENCE, NARA WOMEN'S UNIV.
LICENSE: CC BY-NC-SA
CH$NAME: ETHYL PHENYLACETATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C10H12O2
CH$EXACT_MASS: 164.08373
CH$SMILES: CCOC(=O)Cc(c1)cccc1
CH$IUPAC: InChI=1S/C10H12O2/c1-2-12-10(11)8-9-6-4-3-5-7-9/h3-7H,2,8H2,1H3
CH$LINK: INCHIKEY
DULCUDSUACXJJC-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID6044353
AC$INSTRUMENT: HITACHI M-80
AC$INSTRUMENT_TYPE: CI-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION_ENERGY 20 eV
AC$MASS_SPECTROMETRY: REAGENT_GAS ISOBUTANE
PK$SPLASH: splash10-014l-6900000000-3a6c958ac8e16909ea78
PK$NUM_PEAK: 18
PK$PEAK: m/z int. rel.int.
86 1 10
89 4.04 40
90 2.68 27
91 85.96 860
92 10.62 106
105 2.11 21
117 1.67 17
119 8.34 83
120 0.96 10
129 1.67 17
131 8.49 85
132 0.96 10
133 3.25 33
137 1.87 19
164 8.44 84
165 99.99 999
166 10.57 106
168 1 10
//