MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP010098
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP010098
RECORD_TITLE: 6-ACETOXY-3,4-DIHYDRO-2,5,7,8-TETRAMETHYL-2-(4,8,12-TRIMETHYLTRIDECAN-1-YL)-2H-1-BENZOPYRANE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: KURARAY CO., LTD.
LICENSE: CC BY-NC-SA
CH$NAME: 6-ACETOXY-3,4-DIHYDRO-2,5,7,8-TETRAMETHYL-2-(4,8,12-TRIMETHYLTRIDECAN-1-YL)-2H-1-BENZOPYRANE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C31H52O3
CH$EXACT_MASS: 472.39165
CH$SMILES: c(c21)(c(C)c(c(C)c1CCC(C)(O2)CCCC(C)CCCC(C)CCCC(C)C)OC(C)=O)C
CH$IUPAC: InChI=1S/C31H52O3/c1-21(2)13-10-14-22(3)15-11-16-23(4)17-12-19-31(9)20-18-28-26(7)29(33-27(8)32)24(5)25(6)30(28)34-31/h21-23H,10-20H2,1-9H3
CH$LINK: INCHIKEY
ZAKOWWREFLAJOT-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID20859032
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$SPLASH: splash10-001i-7781900000-34720c5a64f531f3bbd6
PK$NUM_PEAK: 44
PK$PEAK: m/z int. rel.int.
29 2.31 23
40 2.6 26
41 9.79 98
43 22.29 223
44 16.18 162
55 9.43 94
56 7 70
57 9.43 94
67 6.53 65
69 8.34 83
71 8.25 83
81 5.51 55
83 4.82 48
85 6.12 61
91 6.15 62
95 6.09 61
97 6.41 64
121 6.36 64
135 6.33 63
136 6.39 64
149 6.11 61
164 28.19 282
165 65.43 654
166 8.89 89
177 6.22 62
189 6.22 62
203 15.98 160
204 7.78 78
205 10.45 105
207 20.65 207
208 6.12 61
245 46.15 462
246 10.15 102
247 7.49 75
279 5.24 52
281 7.29 73
283 7.05 71
323 14.69 147
325 14.59 146
430 99.99 999
431 34.53 345
432 5.95 60
472 12.66 127
473 7.19 72
//