MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP004071
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP004071
RECORD_TITLE: 5-CHLORO-2-METHYLAMINOBENZOPHENONE; 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$NAME: 5-CHLORO-2-METHYLAMINOBENZOPHENONE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C14H12ClNO
CH$EXACT_MASS: 245.06074
CH$SMILES: CNc(c2)c(cc(Cl)c2)C(=O)c(c1)cccc1
CH$IUPAC: InChI=1S/C14H12ClNO/c1-16-13-8-7-11(15)9-12(13)14(17)10-5-3-2-4-6-10/h2-9,16H,1H3
CH$LINK: INCHIKEY
WPNMLCMTDCANOZ-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID4061416
AC$INSTRUMENT: HITACHI RMU-6E
AC$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$SPLASH: splash10-002e-5790000000-1b4cf5add6d5cb7d8991
PK$NUM_PEAK: 93
PK$PEAK: m/z int. rel.int.
30 3.8 38
39 2.6 26
50 4.9 49
51 17 170
52 3.1 31
62 2.5 25
63 7.8 78
64 0.17 2
65 1.7 17
73 1.5 15
74 2.9 29
75 1.25 13
76 7.8 78
77 72.9 729
78 7.6 76
79 0.16 2
87 1.4 14
89 2.9 29
90 3.9 39
90.5 0.56 6
91 11.4 114
92 1.4 14
98 2.6 26
99 0.22 2
101 1.5 15
102 2.7 27
103 1.1 11
104 0.58 6
105 34.4 344
105.5 1.6 16
106 2.9 29
111 1.05 11
112 5.5 55
113 5.5 55
114 2.7 27
115 0.2 2
122 0.9 9
122.5 2.4 24
123 1.2 12
124 0.12 1
125 6.9 69
126 2.5 25
127 2.5 25
128 0.1 1
132 1.8 18
133 12.3 123
134 1.8 18
138 0.53 5
139 5.9 59
140 9.3 93
141 2.6 26
142 0.24 2
150 5.3 53
151 3.8 38
152 7.5 75
153 0.31 3
154 1.7 17
164 1.7 17
165 7 70
166 0.84 8
167 5.5 55
168 22.8 228
169 3 30
170 0.62 6
180 3.8 38
181 4.8 48
182 1.6 16
191 0.12 1
192 2.9 29
193 35.1 351
194 8.7 87
195 0.37 4
199 1.1 11
201 2.1 21
202 1.5 15
208 0.21 2
209 7.8 78
210 4.6 46
211 2.2 22
214 0.29 3
215 1.6 16
216 3.1 31
227 3.2 32
228 4.32 43
229 11.4 114
230 18.1 181
231 4.2 42
232 0.15 2
244 77.8 778
245 99.99 999
246 39.8 398
247 3.35 34
248 5.2 52
//