MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP011175
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP011175
RECORD_TITLE: 4-METHOXYBENZOPHENONE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: SAWADA M, THE INST. OF SCIENTIFIC AND INDUSTRIALRESEARCH OSAKA UNIV.
LICENSE: CC BY-NC-SA
CH$NAME: 4-METHOXYBENZOPHENONE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C14H12O2
CH$EXACT_MASS: 212.08373
CH$SMILES: COc(c2)ccc(c2)C(=O)c(c1)cccc1
CH$IUPAC: InChI=1S/C14H12O2/c1-16-13-9-7-12(8-10-13)14(15)11-5-3-2-4-6-11/h2-10H,1H3
CH$LINK: INCHIKEY
SWFHGTMLYIBPPA-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID00209995
AC$INSTRUMENT: JEOL JMS-DX-300
AC$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$SPLASH: splash10-01p9-7940000000-5c3f9fed027b23e839c5
PK$NUM_PEAK: 45
PK$PEAK: m/z int. rel.int.
38 1.9 19
39 2.8 28
40 1.9 19
44 1.2 12
50 6.5 65
51 15.7 157
52 1 10
53 1.4 14
62 1.8 18
63 8.9 89
64 11.9 119
65 2.2 22
74 2.5 25
75 2.5 25
76 5.4 54
77 55.7 557
78 4.5 45
79 1.8 18
89 1.3 13
91 1.5 15
92 23.5 235
93 1.7 17
104 1.1 11
105 18.7 187
106 1.8 18
107 11.3 113
115 4.3 43
119 2.6 26
135 99.99 999
136 14.7 147
137 1.4 14
139 3.7 37
140 1.3 13
141 3.8 38
152 2 20
153 1.1 11
168 1.3 13
169 4.6 46
181 5.7 57
182 1 10
196 1.6 16
211 4.1 41
212 63.9 639
213 12 120
214 1.3 13
//