MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP000363
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP000363
RECORD_TITLE: 4-METHOXYCHALCONE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: SASAKI S, TOYOHASHI UNIV. OF TECH.
LICENSE: CC BY-NC-SA
CH$NAME: 4-METHOXYCHALCONE
CH$NAME: 3-(4-METHOXYPHENYL)-1-PHENYL-2-PROPEN-1-ONE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C16H14O2
CH$EXACT_MASS: 238.09938
CH$SMILES: COc(c2)ccc(c2)C=CC(=O)c(c1)cccc1
CH$IUPAC: InChI=1S/C16H14O2/c1-18-15-10-7-13(8-11-15)9-12-16(17)14-5-3-2-4-6-14/h2-12H,1H3/b12-9+
CH$LINK: INCHIKEY
XUFXKBJMCRJATM-FMIVXFBMSA-N
AC$INSTRUMENT: HITACHI RMU-6D
AC$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$SPLASH: splash10-000i-3970000000-42f552356e35d2c1010a
PK$NUM_PEAK: 55
PK$PEAK: m/z int. rel.int.
28 3 30
29 1.5 15
38 5 50
51 1.85 19
52 2.5 25
53 2 20
74 3 30
75 0.4 4
76 7 70
77 55 550
78 8 80
79 0.7 7
101 2.5 25
102 5.5 55
103 6.5 65
104 0.25 3
105 30 300
107 1.5 15
108 48 480
109 0.35 4
126 1.5 15
127 1.5 15
129 5 50
131 0.1 1
132 2 20
133 31 310
134 4.5 45
151 0.2 2
152 7 70
154 2 20
161 58 580
162 1.5 15
163 1.5 15
164 10 100
165 4 40
166 1 10
167 2 20
176 2 20
177 3 30
178 0.5 5
179 7 70
194 3 30
195 13 130
196 0.2 2
207 12 120
208 2 20
209 5 50
210 0.5 5
221 2 20
222 1.5 15
223 22 220
224 0.4 4
237 44 440
238 99.99 999
239 17 170
//