MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP001491
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP001491
RECORD_TITLE: ACETOPHENONE; 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$NAME: ACETOPHENONE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C8H8O
CH$EXACT_MASS: 120.05751
CH$SMILES: CC(=O)c(c1)cccc1
CH$IUPAC: InChI=1S/C8H8O/c1-7(9)8-5-3-2-4-6-8/h2-6H,1H3
CH$LINK: INCHIKEY
KWOLFJPFCHCOCG-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID6021828
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$SPLASH: splash10-0a6r-9700000000-35041eb32d369a5e3d11
PK$NUM_PEAK: 27
PK$PEAK: m/z int. rel.int.
15 3.97 40
27 2.97 30
28 2.33 23
37 1.34 13
38 2.9 29
38.5 1.25 13
39 5.38 54
42 1.27 13
43 17.77 178
49 1.1 11
50 12.55 126
51 31.27 313
52 2.84 28
52.5 2.55 26
62 1.76 18
63 2.97 30
65 2.23 22
74 4.17 42
75 2.65 27
76 3.26 33
77 81.64 816
78 9.37 94
91 2.06 21
105 99.99 999
106 8.12 81
120 42.55 426
121 4.73 47
//