MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP010202
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP010202
RECORD_TITLE: 6,6-DIETHOXY-5-HYDROXY-1-PHENYL-1-HEXEN-3-ONE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: KANEMASA S, INST. OF ADVANCED MATERIAL STUDY KYUSHU UNIV.
LICENSE: CC BY-NC-SA
CH$NAME: 6,6-DIETHOXY-5-HYDROXY-1-PHENYL-1-HEXEN-3-ONE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C16H22O4
CH$EXACT_MASS: 278.15181
CH$SMILES: CCOC(OCC)C(O)CC(=O)C=Cc(c1)cccc1
CH$IUPAC: InChI=1S/C16H22O4/c1-3-19-16(20-4-2)15(18)12-14(17)11-10-13-8-6-5-7-9-13/h5-11,15-16,18H,3-4,12H2,1-2H3/b11-10+
CH$LINK: INCHIKEY
XRVSYOZKHXIBPW-ZHACJKMWSA-N
AC$INSTRUMENT: JEOL JMS-01-SG-2
AC$INSTRUMENT_TYPE: EI-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION_ENERGY 75 eV
MS$FOCUSED_ION: ION_TYPE [M]+*
PK$SPLASH: splash10-0ufr-6900000000-57ebdf8fa5219d2c63ba
PK$NUM_PEAK: 27
PK$PEAK: m/z int. rel.int.
31 5.74 57
43 5.2 52
46 5.2 52
48 45.42 454
52 7.51 75
75 39.92 399
76 4.41 44
77 29.83 298
91 5.4 54
102 10.33 103
103 99.99 999
104 10.86 109
116 5.03 50
128 4.46 45
129 4.87 49
131 41.76 418
132 6.97 70
133 1.1 11
141 1.19 12
145 4.82 48
146 4.45 45
149 1.01 10
157 1.21 12
158 1.09 11
161 1.22 12
232 3.71 37
233 3.74 37
//