MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP001817
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP001817
RECORD_TITLE: ISOBUTYL PHENYL KETONE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: TAJIMA S, GUNMA COLLEGE OF TECHNOLOGY
LICENSE: CC BY-NC-SA
CH$NAME: ISOBUTYL PHENYL KETONE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C11H14O
CH$EXACT_MASS: 162.10447
CH$SMILES: CC(C)CC(=O)c(c1)cccc1
CH$IUPAC: InChI=1S/C11H14O/c1-9(2)8-11(12)10-6-4-3-5-7-10/h3-7,9H,8H2,1-2H3
CH$LINK: INCHIKEY
HEOVGVNITGAUKL-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID1060390
AC$INSTRUMENT: HITACHI RMU-7M
AC$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$SPLASH: splash10-0a4i-5900000000-604a50e6b49857c08c75
PK$NUM_PEAK: 19
PK$PEAK: m/z int. rel.int.
28 4.11 41
30 3.1 31
39 4.76 48
43 1.79 18
50 3.51 35
51 13.93 139
52 1.07 11
57 1.49 15
69 1.73 17
77 45.83 458
78 6.07 61
91 1.73 17
105 99.99 999
106 7.38 74
120 22.92 229
121 1.73 17
147 3.39 34
162 11.55 116
163 1.49 15
//