MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP001492
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP001492
RECORD_TITLE: (2,2,2,-2H3)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$NAME: (2,2,2,-2H3)ACETOPHENONE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C8H8O
CH$EXACT_MASS: 120.05751
CH$SMILES: [2H]C([2H])([2H])C(=O)c(c1)cccc1
CH$IUPAC: InChI=1S/C8H8O/c1-7(9)8-5-3-2-4-6-8/h2-6H,1H3/i1D3
CH$LINK: INCHIKEY
KWOLFJPFCHCOCG-FIBGUPNXSA-N
CH$LINK: COMPTOX
DTXSID70169976
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$SPLASH: splash10-0a6r-9700000000-d60fa0e8b56fa3eac3dd
PK$NUM_PEAK: 26
PK$PEAK: m/z int. rel.int.
18 4.6 46
27 2.4 24
28 2.35 24
37 1.18 12
38 2.17 22
38.5 1.15 12
39 2.73 27
40 1.34 13
46 18 180
50 11.09 111
51 26.69 267
52 3.16 32
52.5 1.42 14
53 1.32 13
63 1.12 11
74 3.78 38
75 2.56 26
76 3.03 30
77 80.93 809
78 6.47 65
79 2.57 26
105 99.99 999
106 8.11 81
122 1.37 14
123 45.45 455
124 4.37 44
//
system version 2.2.6-SNAPSHOT