ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP003574
RECORD_TITLE: ACRYLOYLAMINOMETHYL (3,5-DI-TERT-BUTYL-4-HYDROXY)BENZYL ETHER; 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$NAME: ACRYLOYLAMINOMETHYL (3,5-DI-TERT-BUTYL-4-HYDROXY)BENZYL ETHER
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₉H₂₉NO₃
CH$EXACT_MASS: 319.21474
CH$SMILES: C=CC(=O)NCOCc(c1)cc(C(C)(C)C)c(O)c1C(C)(C)C
CH$IUPAC: InChI=1S/C19H29NO3/c1-8-16(21)20-12-23-11-13-9-14(18(2,3)4)17(22)15(10-13)19(5,6)7/h8-10,22H,1,11-12H2,2-7H3,(H,20,21)
CH$LINK: INCHIKEY QLARJGZMKICHSE-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID00628107

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$SPLASH: splash10-00di-6390000000-0e438729d45209bf6bad
PK$NUM_PEAK: 47
PK$PEAK: m/z int. rel.int.
  27 5.28 53
  29 13.24 132
  31 2.92 29
  39 4.82 48
  41 20.65 207
  43 5.75 58
  51 2.01 20
  53 3.31 33
  55 11.49 115
  57 31.46 315
  65 2.73 27
  67 2.25 23
  69 2.03 20
  77 5.56 56
  79 3.91 39
  80 3.34 33
  85 2.16 22
  89 3.52 35
  91 11.36 114
  103 5.19 52
  105 4.36 44
  107 2.48 25
  115 4.58 46
  117 3.55 36
  119 2.57 26
  121 2.07 21
  128 3.84 38
  129 4.61 46
  131 7.04 70
  145 2.9 29
  147 6.44 64
  161 7.01 70
  163 2.07 21
  175 2.31 23
  177 2.32 23
  179 2.47 25
  193 5.37 54
  203 2.51 25
  205 4.6 46
  207 3.49 35
  219 9.41 94
  220 2.3 23
  221 99.99 999
  222 15.31 153
  235 8.16 82
  236 39.03 390
  237 6.08 61
//