MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP005216
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP005216
RECORD_TITLE: ALLYL 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$NAME: ALLYL PHENYLACETATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C11H12O2
CH$EXACT_MASS: 176.08373
CH$SMILES: C=CCOC(=O)Cc(c1)cccc1
CH$IUPAC: InChI=1S/C11H12O2/c1-2-8-13-11(12)9-10-6-4-3-5-7-10/h2-7H,1,8-9H2
CH$LINK: INCHIKEY
ZCDYAMJXVAUTIM-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID8061977
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$SPLASH: splash10-004i-0900000000-933cb8074ca2bf3472b3
PK$NUM_PEAK: 13
PK$PEAK: m/z int. rel.int.
91 10.52 105
92 1.27 13
119 1.22 12
131 11.94 119
132 1.33 13
149 1.15 12
159 8.4 84
160 1.06 11
171 2.39 24
176 12.55 126
177 99.99 999
178 16.05 161
179 1.63 16
//