MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP005317
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP005317
RECORD_TITLE: ISOBUTYL PHENYLACETATE; EI-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$NAME: ISOBUTYL PHENYLACETATE
CH$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$INSTRUMENT: HITACHI RMU-6M
AC$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$SPLASH: splash10-0006-9100000000-ace9dec3575724d71acf
PK$NUM_PEAK: 32
PK$PEAK: m/z int. rel.int.
27 5.7 57
28 1.24 12
29 27.94 279
39 11.05 111
40 1.17 12
41 33.65 337
42 1.9 19
43 3.95 40
50 1.24 12
51 3.29 33
52 1.17 12
55 2.12 21
56 6.14 61
57 70.89 709
58 3.22 32
62 1.09 11
63 4.02 40
64 1.46 15
65 16.09 161
66 1.1 11
71 1.83 18
89 4.31 43
90 3.8 38
91 99.99 999
92 31.78 318
93 2.27 23
119 9.29 93
136 37.46 375
137 13.31 133
138 1.09 11
192 9.21 92
193 1.35 14
//