ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP006665
RECORD_TITLE: 5-CHLOROETHOXY-2,6-DIMETHYL-3-METHOXY-(6R)-((2R)-2-METHYLBUTYRYLOXY)-2,4-CYCLOHEXADIEN-1-ONE; 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$NAME: 5-CHLOROETHOXY-2,6-DIMETHYL-3-METHOXY-(6R)-((2R)-2-METHYLBUTYRYLOXY)-2,4-CYCLOHEXADIEN-1-ONE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₆H₂₃ClO₅
CH$EXACT_MASS: 330.12340
CH$SMILES: ClCCOC(=C1)C(C)(OC(=O)C([H])(C)CC)C(=O)C(C)=C(OC)1
CH$IUPAC: InChI=1S/C16H23ClO5/c1-6-10(2)15(19)22-16(4)13(21-8-7-17)9-12(20-5)11(3)14(16)18/h9-10H,6-8H2,1-5H3/t10-,16-/m1/s1
CH$LINK: INCHIKEY FGUIKRIBAYASBF-QLJPJBMISA-N

AC$INSTRUMENT: JEOL JMS-D-300
AC$INSTRUMENT_TYPE: EI-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION_ENERGY 70 eV

MS$FOCUSED_ION: ION_TYPE [M]+*

PK$SPLASH: splash10-0pc1-8691000000-ec76e1d97dbe3c31a5f9
PK$NUM_PEAK: 76
PK$PEAK: m/z int. rel.int.
  41 1.4 14
  43 10.7 107
  44 12.8 128
  51 0.14 1
  52 2 20
  53 3.1 31
  55 3.4 34
  57 99.99 999
  58 4.9 49
  59 1.8 18
  63 10.8 108
  65 0.36 4
  67 2.4 24
  69 2.9 29
  77 2.7 27
  79 0.26 3
  80 1.3 13
  81 2 20
  83 7.3 73
  85 3.36 34
  86 1.8 18
  91 1 10
  95 2.4 24
  96 0.11 1
  107 1.5 15
  109 2.2 22
  111 1.7 17
  123 0.31 3
  124 2.2 22
  125 1.2 12
  137 2.3 23
  138 0.33 3
  139 10.2 102
  140 4.8 48
  141 19.2 192
  142 0.16 2
  151 4.7 47
  152 1.1 11
  153 1.3 13
  155 0.91 9
  156 1 10
  165 1 10
  166 21 210
  167 0.52 5
  168 2.5 25
  169 1.3 13
  183 57.7 577
  184 0.62 6
  185 1.1 11
  193 1.2 12
  198 2.8 28
  201 0.51 5
  202 1.3 13
  203 76 760
  204 10 100
  205 2.57 26
  206 3.2 32
  214 4.3 43
  216 1.7 17
  217 0.47 5
  219 1.6 16
  229 1.1 11
  230 2.7 27
  231 0.22 2
  232 1.1 11
  245 10.1 101
  246 53.5 535
  247 0.99 10
  248 18.1 181
  249 2.4 24
  282 1.4 14
  287 0.17 2
  330 24.3 243
  331 4.7 47
  332 8.5 85
  333 1.6 16
//