MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP009531
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP009531
RECORD_TITLE: 6-METHOXY-4-CHLOROQUINALIDINE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: NARA WOMEN'S UNIVERSITY
LICENSE: CC BY-NC-SA
CH$NAME: 6-METHOXY-4-CHLOROQUINALIDINE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C11H10ClNO
CH$EXACT_MASS: 207.04509
CH$SMILES: COc(c2)cc(c(Cl)1)c(c2)nc(C)c1
CH$IUPAC: InChI=1S/C11H10ClNO/c1-7-5-10(12)9-6-8(14-2)3-4-11(9)13-7/h3-6H,1-2H3
CH$LINK: INCHIKEY
WABDZSKKLDCIRM-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID10346168
AC$INSTRUMENT: HITACHI M-80
AC$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$SPLASH: splash10-0a4i-2950000000-b371aa6905c4a211f0c4
PK$NUM_PEAK: 61
PK$PEAK: m/z int. rel.int.
15 5.52 55
18 1.09 11
38 1 10
39 1.82 18
50 3.52 35
51 5.45 55
52 2.43 24
61 1.24 12
62 6.57 66
63 4.27 43
64 1.01 10
73 1.26 13
74 4.49 45
75 7.13 71
76 3.06 31
77 6.88 69
78 2.46 25
80 1.1 11
86 1.87 19
87 4.43 44
88 6 60
89 1.79 18
98 1.34 13
99 3.09 31
100 2.49 25
101 12.35 124
102 14.49 145
103 2.87 29
113 1.88 19
114 3.24 32
115 1.89 19
116 4.9 49
123 1.01 10
127 2.81 28
128 16.4 164
129 10.64 106
130 1.3 13
135 1.27 13
137 5.91 59
138 1.24 12
139 2.07 21
140 4.46 45
141 1.89 19
142 1.94 19
163 1.35 14
164 62.58 626
165 6.93 69
166 20.27 203
167 2.08 21
172 3.95 40
177 4.33 43
178 2.26 23
179 1.72 17
192 35.14 351
193 4.8 48
194 11.48 115
195 1.48 15
207 99.99 999
208 13.51 135
209 32.8 328
210 4.29 43
//