MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP003551
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP003551
RECORD_TITLE: OCTADECYL 3-(3,5-DI-TERT-BUTYL-4-HYDROXYPHENYL)PROPIONATE; 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$NAME: OCTADECYL 3-(3,5-DI-TERT-BUTYL-4-HYDROXYPHENYL)PROPIONATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C35H62O3
CH$EXACT_MASS: 530.46990
CH$SMILES: C(CCCCCCCCCOC(=O)CCc(c1)cc(c(c1C(C)(C)C)O)C(C)(C)C)CCCCCCCC
CH$IUPAC: InChI=1S/C35H62O3/c1-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-26-38-32(36)25-24-29-27-30(34(2,3)4)33(37)31(28-29)35(5,6)7/h27-28,37H,8-26H2,1-7H3
CH$LINK: INCHIKEY
SSDSCDGVMJFTEQ-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID8027456
AC$INSTRUMENT: Unknown
AC$INSTRUMENT_TYPE: EI-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
MS$FOCUSED_ION: ION_TYPE [M]+*
PK$SPLASH: splash10-0aou-9110040000-ebed9d9c1013daf93fbb
PK$NUM_PEAK: 34
PK$PEAK: m/z int. rel.int.
29 11.44 114
41 23.36 234
43 47.73 477
55 30.28 303
56 2.16 22
57 99.99 999
58 4.19 42
69 19.6 196
71 13.21 132
83 10.28 103
85 5.78 58
97 5.58 56
147 12.46 125
149 6.89 69
161 5.53 55
163 4.69 47
167 2.42 24
187 2.73 27
189 6.41 64
203 9.49 95
207 3.06 31
217 4.03 40
219 26.83 268
220 4.39 44
232 4.3 43
263 3.57 36
278 3.99 40
501 7.77 78
515 33.93 339
516 13.25 133
517 2.81 28
530 35.39 354
531 25.91 259
532 5.52 55
//