MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP006147
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP006147
RECORD_TITLE: ISOBUTYL PHENYLACETATE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: HASHIMOTO K, KYOTO COLLEGE OF PHARMACY
LICENSE: CC BY-NC-SA
CH$NAME: ISOBUTYL PHENYLACETATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C12H16O2
CH$EXACT_MASS: 192.11503
CH$SMILES: CC(C)COC(=O)Cc(c1)cccc1
CH$IUPAC: InChI=1S/C12H16O2/c1-10(2)9-14-12(13)8-11-6-4-3-5-7-11/h3-7,10H,8-9H2,1-2H3
CH$LINK: INCHIKEY
RJASFPFZACBKBE-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID6051512
AC$INSTRUMENT: HITACHI M-80
AC$INSTRUMENT_TYPE: EI-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION_ENERGY 20 eV
MS$FOCUSED_ION: ION_TYPE [M]+*
PK$SPLASH: splash10-052f-9000000000-ac191325e5762ab863eb
PK$NUM_PEAK: 17
PK$PEAK: m/z int. rel.int.
29 40.91 409
41 48.41 484
42 1.5 15
43 2.99 30
55 1.78 18
56 6.73 67
57 99.99 999
58 4.03 40
65 3.98 40
71 1.49 15
91 68.76 688
92 25.18 252
93 1.57 16
119 3.87 39
136 17.23 172
137 6.43 64
192 0.57 6
//