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MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP003557

2,2'-METHYLENE-BIS-(4-METHYL-6-TERT-BUTYLPHENOL); EI-B; MS

Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk)

ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP003557
RECORD_TITLE: 2,2'-METHYLENE-BIS-(4-METHYL-6-TERT-BUTYLPHENOL); 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$NAME: 2,2'-METHYLENE-BIS-(4-METHYL-6-TERT-BUTYLPHENOL)
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C23H32O2
CH$EXACT_MASS: 340.24023
CH$SMILES: Cc(c1)cc(C(C)(C)C)c(O)c1Cc(c2)c(O)c(cc(C)2)C(C)(C)C
CH$IUPAC: InChI=1S/C23H32O2/c1-14-9-16(20(24)18(11-14)22(3,4)5)13-17-10-15(2)12-19(21(17)25)23(6,7)8/h9-12,24-25H,13H2,1-8H3
CH$LINK: INCHIKEY KGRVJHAUYBGFFP-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID4020870

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$SPLASH: splash10-03fu-1901000000-21fe42e565add4f54b18
PK$NUM_PEAK: 59
PK$PEAK: m/z int. rel.int.
  29 10.06 101
  41 23.67 237
  43 6.26 63
  53 2.52 25
  55 4.77 48
  57 31.44 314
  77 6.4 64
  79 4.45 45
  91 14.68 147
  93 3.61 36
  103 2.77 28
  105 14.18 142
  107 3.4 34
  108 2.56 26
  115 5.49 55
  116 2.72 27
  117 4.52 45
  118 3.11 31
  119 11.93 119
  121 30.99 310
  122 2.8 28
  127 27.08 271
  128 4.2 42
  129 3.04 30
  131 2.87 29
  133 18.2 182
  134 4.08 41
  135 6.92 69
  137 5.74 57
  141 14.65 147
  142 3.49 35
  145 3.78 38
  146 2.94 29
  147 5.29 53
  148 2.91 29
  149 52.69 527
  150 6.16 62
  155 16.2 162
  156 3.77 38
  159 2.01 20
  161 69.59 696
  162 11.75 118
  163 6.29 63
  164 68.95 690
  165 9.81 98
  175 5.37 54
  176 6.52 65
  177 99.99 999
  178 14.56 146
  179 2.38 24
  228 3.17 32
  269 4.44 44
  283 4.59 46
  284 18.88 189
  285 3.87 39
  325 2.48 25
  340 66.86 669
  341 15.52 155
  342 2.01 20
//

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