ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP003562
RECORD_TITLE: HEXAMETHYLENEGLYCOL BIS(BETA-(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$NAME: HEXAMETHYLENEGLYCOL BIS(BETA-(3,5-DI-TERT-BUTYL-4-HYDROXYPHENYL)PROPIONATE)
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₄₀H₆₂O₆
CH$EXACT_MASS: 638.45464
CH$SMILES: O(C(=O)CCc(c2)cc(c(c2C(C)(C)C)O)C(C)(C)C)CCCCCCOC(=O)CCc(c1)cc(c(c1C(C)(C)C)O)C(C)(C)C
CH$IUPAC: InChI=1S/C40H62O6/c1-37(2,3)29-23-27(24-30(35(29)43)38(4,5)6)17-19-33(41)45-21-15-13-14-16-22-46-34(42)20-18-28-25-31(39(7,8)9)36(44)32(26-28)40(10,11)12/h23-26,43-44H,13-22H2,1-12H3
CH$LINK: INCHIKEY ZVVFVKJZNVSANF-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID0027985

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$SPLASH: splash10-0aor-8492001000-ac02f34477263eb90529
PK$NUM_PEAK: 74
PK$PEAK: m/z int. rel.int.
  29 7.19 72
  41 23.76 238
  43 10.77 108
  55 48.67 487
  56 2.37 24
  57 99.99 999
  58 4.51 45
  69 4.82 48
  81 6.25 63
  83 20.67 207
  91 2.32 23
  99 2.02 20
  101 2.62 26
  105 2.41 24
  107 3.16 32
  119 2.66 27
  121 3.09 31
  129 3.37 34
  131 2.37 24
  133 2.95 30
  143 2.55 26
  145 3.11 31
  147 18.19 182
  148 2.19 22
  149 6.35 64
  159 2.54 25
  161 11.79 118
  163 17.06 171
  167 2.09 21
  173 2.04 20
  175 3.81 38
  176 4.01 40
  177 2.19 22
  185 2.91 29
  187 7.27 73
  189 10.77 108
  201 3.34 33
  203 42 420
  204 8.79 88
  205 6.69 67
  207 2.61 26
  217 11.41 114
  218 2.96 30
  219 95.17 952
  220 16.04 160
  221 2.29 23
  232 6 60
  233 4.42 44
  245 3.82 38
  259 18.41 184
  260 10.2 102
  261 3.28 33
  263 4 40
  278 2.82 28
  297 2.84 28
  304 25.51 255
  305 11.85 119
  312 4.98 50
  322 12.91 129
  323 2.57 26
  360 4.42 44
  378 15.74 157
  379 4.18 42
  421 4.6 46
  455 4.68 47
  470 5.52 55
  476 7.97 80
  526 7.48 75
  527 2.55 26
  532 3.89 39
  582 3.89 39
  638 24.69 247
  639 10.87 109
  640 2.54 25
//