ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP003556
RECORD_TITLE: 1,1,3-TRIS(2-METHYL-4-HYDROXY-5-TERT-BUTYLPHENYL)BUTANE; 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$NAME: 1,1,3-TRIS(2-METHYL-4-HYDROXY-5-TERT-BUTYLPHENYL)BUTANE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₃₇H₅₂O₃
CH$EXACT_MASS: 544.39165
CH$SMILES: Cc(c1)c(O)cc(c(C(CC(C)c(c3)c(C)cc(c3C(C)(C)C)O)c(c2)c(C)cc(O)c(C(C)(C)C)2)1)C(C)(C)C
CH$IUPAC: InChI=1S/C37H52O3/c1-21(25-18-30(36(8,9)10)33(39)16-22(25)2)14-27(26-19-31(37(11,12)13)34(40)17-23(26)3)28-15-24(4)32(38)20-29(28)35(5,6)7/h15-21,27,38-40H,14H2,1-13H3
CH$LINK: INCHIKEY WIDXGWNAHCYPJN-UHFFFAOYSA-N

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$SPLASH: splash10-000i-4109000000-f73da7d57ca97c249665
PK$NUM_PEAK: 30
PK$PEAK: m/z int. rel.int.
  29 4.46 45
  39 2.66 27
  41 8.7 87
  43 4.67 47
  55 4.31 43
  57 28.01 280
  59 5.61 56
  69 3.08 31
  91 9.05 91
  92 4.48 45
  121 2.67 27
  135 2.11 21
  147 2.38 24
  149 3.2 32
  161 2.68 27
  175 3.97 40
  189 2.05 21
  191 9.81 98
  205 10.33 103
  309 2.93 29
  323 7.47 75
  337 2.24 22
  339 99.99 999
  340 25.5 255
  341 3.7 37
  353 3.23 32
  365 4.22 42
  412 4.54 45
  544 7.04 70
  545 3.39 34
//