MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP007137
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP007137
RECORD_TITLE: ACETOPHENONE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: SODA AROMATIC CO., LTD.
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$LINK: CAS
98-86-2
CH$LINK: INCHIKEY
KWOLFJPFCHCOCG-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID6021828
AC$INSTRUMENT: HITACHI M-80B
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-9600000000-558d4c95783742599522
PK$NUM_PEAK: 25
PK$PEAK: m/z int. rel.int.
15 2.57 26
27 2.18 22
37 1.03 10
38 2.36 24
39 5.65 57
42 1.37 14
43 15.81 158
49 1.07 11
50 14.24 142
51 31.73 317
52 2.43 24
53 1.1 11
62 1.53 15
63 2.42 24
65 1.72 17
74 4.68 47
75 2.17 22
76 2.8 28
77 79.8 798
78 8.19 82
91 1.44 14
105 99.99 999
106 8 80
120 29.91 299
121 1.98 20
//