ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP010070
RECORD_TITLE: 7-ACETOXY-2-(2-ACETOXYETHYL)-6-HEXYL-3,4-DIHYDRO-2-METHYL-2H-1-BENZOPYRAN; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: KURARAY CO., LTD.
LICENSE: CC BY-NC-SA

CH$NAME: 7-ACETOXY-2-(2-ACETOXYETHYL)-6-HEXYL-3,4-DIHYDRO-2-METHYL-2H-1-BENZOPYRAN
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₂₂H₃₂O₅
CH$EXACT_MASS: 376.22497
CH$SMILES: CCCCCCc(c1)c(OC(C)=O)cc(O2)c(CCC(C)(CCOC(C)=O)2)1
CH$IUPAC: InChI=1S/C22H32O5/c1-5-6-7-8-9-18-14-19-10-11-22(4,12-13-25-16(2)23)27-21(19)15-20(18)26-17(3)24/h14-15H,5-13H2,1-4H3
CH$LINK: INCHIKEY UIXUWDLVIIMRCQ-UHFFFAOYSA-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$SPLASH: splash10-0a6r-3289000000-235a56e16d1a1e9b645c
PK$NUM_PEAK: 91
PK$PEAK: m/z int. rel.int.
  27 1.9 19
  28 7.9 79
  29 5.1 51
  31 0.14 1
  32 1.2 12
  41 10.6 106
  42 1.2 12
  43 2.19 22
  53 1.4 14
  55 12.3 123
  57 3.4 34
  65 0.11 1
  67 3.1 31
  69 4.9 49
  77 3.5 35
  79 0.37 4
  81 7.2 72
  83 2.5 25
  85 6.1 61
  91 0.55 6
  93 3.4 34
  95 4.4 44
  97 2 20
  103 0.13 1
  105 2.5 25
  107 2.3 23
  109 1.6 16
  115 0.11 1
  117 1.2 12
  119 1.5 15
  121 3.1 31
  123 0.27 3
  129 1.1 11
  131 1 10
  133 1.8 18
  135 0.21 2
  137 4.6 46
  144 1.2 12
  145 1.4 14
  147 0.28 3
  148 1.8 18
  149 14.5 145
  150 8.2 82
  151 0.42 4
  159 1.3 13
  161 5.1 51
  162 1.7 17
  163 0.35 4
  174 1.2 12
  175 2.4 24
  177 1.7 17
  187 0.21 2
  189 1.5 15
  191 1.3 13
  205 42.8 428
  206 0.74 7
  207 4.8 48
  217 2.3 23
  219 52.1 521
  220 1.95 20
  221 6.6 66
  231 1.2 12
  233 2 20
  245 0.11 1
  259 0.8 8
  261 1.8 18
  273 1.7 17
  275 0.75 8
  276 1.1 11
  287 51.3 513
  288 10.7 107
  289 0.59 6
  290 5.4 54
  291 28.7 287
  292 1.8 18
  303 0.3 3
  305 63.9 639
  306 12.9 129
  307 1.6 16
  317 0.11 1
  329 5.8 58
  331 4.4 44
  348 3.3 33
  358 0.72 7
  359 1.6 16
  374 5.1 51
  375 2.6 26
  376 99.99 999
  377 26.7 267
  378 3.7 37
  388 2.2 22
//