MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP010456
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP010456
RECORD_TITLE: PARA-METHOXYBENZOYL CHLORIDE; 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$NAME: PARA-METHOXYBENZOYL CHLORIDE
CH$NAME: PARA-ANISOYL CHLORIDE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C8H7ClO2
CH$EXACT_MASS: 170.01346
CH$SMILES: COc(c1)ccc(c1)C(=O)Cl
CH$IUPAC: InChI=1S/C8H7ClO2/c1-11-7-4-2-6(3-5-7)8(9)10/h2-5H,1H3
CH$LINK: INCHIKEY
MXMOTZIXVICDSD-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID9059204
AC$INSTRUMENT: HITACHI M-80A
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: splash10-000i-9700000000-96a35c922da44dbb3578
PK$NUM_PEAK: 41
PK$PEAK: m/z int. rel.int.
35 3.12 31
36 15.73 157
37 2.82 28
38 8.31 83
39 2.22 22
40 2.31 23
44 2.23 22
45 1.54 15
50 8.95 90
51 4.56 46
52 1.56 16
53 3.04 30
61 3.31 33
62 5.36 54
63 15.77 158
64 14.99 150
65 2.51 25
73 2.05 21
74 5.26 53
75 4.88 49
76 4.58 46
77 26.81 268
78 3.24 32
79 2.73 27
83 1.25 13
91 2.74 27
92 24.1 241
93 2.11 21
99 1.49 15
105 1.63 16
107 10.89 109
111 1.18 12
120 2.46 25
121 1.51 15
122 3.97 40
127 1.16 12
135 99.99 999
136 9.4 94
154 2.21 22
170 9.14 91
172 3.11 31
//
system version 2.2.6-SNAPSHOT