MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP006677
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP006677
RECORD_TITLE: 5-ACETOXY-3-METHOXY-2,6-DIMETHYL-(6R)-((2R)-2-METHYLBUTYRYLOXY)-2,3-CYCLOHEXADIEN-1-ONE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: MASS SPECTROSCOPY SOC. OF JAPAN (MSSJ)
LICENSE: CC BY-NC-SA
CH$NAME: 5-ACETOXY-3-METHOXY-2,6-DIMETHYL-(6R)-((2R)-2-METHYLBUTYRYLOXY)-2,3-CYCLOHEXADIEN-1-ONE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C16H22O6
CH$EXACT_MASS: 310.14164
CH$SMILES: CCC([H])(C)C(=O)OC(C)(C(=O)1)C(OC(C)=O)=CC(OC)=C(C)1
CH$IUPAC: InChI=1S/C16H22O6/c1-7-9(2)15(19)22-16(5)13(21-11(4)17)8-12(20-6)10(3)14(16)18/h8-9H,7H2,1-6H3/t9-,16-/m1/s1
CH$LINK: INCHIKEY
KHLPUDAOXGHKTN-JDNHERCYSA-N
AC$INSTRUMENT: JEOL JMS-D-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: splash10-0a4l-9300000000-55143526a198aa6ef951
PK$NUM_PEAK: 40
PK$PEAK: m/z int. rel.int.
41 21 210
42 4.5 45
43 54.5 545
44 0.45 5
45 11.5 115
53 2.5 25
55 6 60
56 0.45 5
57 99.99 999
58 4.5 45
59 3 30
60 0.85 9
69 4.5 45
74 22 220
83 4.5 45
87 0.55 6
101 3 30
127 3 30
128 3 30
139 0.7 7
140 3 30
141 11 110
142 11 110
154 0.3 3
157 12.5 125
166 12 120
167 4 40
168 0.7 7
169 3 30
170 3 30
182 2 20
183 0.6 6
184 18 180
185 2 20
205 2 20
210 0.15 2
212 1.5 15
241 1.5 15
258 4.5 45
310 1 10
//