MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP006754
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP006754
RECORD_TITLE: P-CHLOROACETOPHENONE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: MASS SPECTROSCOPY SOC. OF JAPAN (MSSJ)
LICENSE: CC BY-NC-SA
CH$NAME: P-CHLOROACETOPHENONE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C8H7ClO
CH$EXACT_MASS: 154.01854
CH$SMILES: CC(=O)c(c1)ccc(Cl)c1
CH$IUPAC: InChI=1S/C8H7ClO/c1-6(10)7-2-4-8(9)5-3-7/h2-5H,1H3
CH$LINK: INCHIKEY
BUZYGTVTZYSBCU-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID1052668
AC$INSTRUMENT: HITACHI RMS-4
AC$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$SPLASH: splash10-0ug0-9400000000-54245ae6e971885c4c56
PK$NUM_PEAK: 56
PK$PEAK: m/z int. rel.int.
40 3 30
41 3 30
42 8 80
43 8.9 89
44 3 30
47 3 30
48 3 30
49 0.8 8
50 99.99 999
51 27 270
52 4 40
53 0.3 3
60 3 30
61 9 90
62 10 100
63 1.3 13
64 3 30
65 4 40
72 3 30
73 1 10
74 27 270
75 85 850
76 17 170
77 0.7 7
78 2 20
84 5 50
85 9 90
86 0.4 4
87 5 50
88 3 30
89 7 70
90 0.3 3
91 4 40
97 3 30
98 3 30
99 0.4 4
100 2 20
101 3 30
102 2 20
103 0.2 2
104 8 80
110 3 30
111 37 370
112 0.6 6
113 13 130
114 3 30
125 3 30
127 0.3 3
139 75 750
140 5 50
141 16 160
142 0.3 3
154 13 130
155 4 40
156 6 60
157 2 20
//