ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP009891
RECORD_TITLE: METHYL 8-HYDROXY-5-METHYL-4-DECENOATE; 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$NAME: METHYL 8-HYDROXY-5-METHYL-4-DECENOATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₂H₂₂O₃
CH$EXACT_MASS: 214.15689
CH$SMILES: CCC(O)CCC(C)=CCCC(=O)OC
CH$IUPAC: InChI=1S/C12H22O3/c1-4-11(13)9-8-10(2)6-5-7-12(14)15-3/h6,11,13H,4-5,7-9H2,1-3H3/b10-6+
CH$LINK: INCHIKEY PAFTXKVWUFSNKO-UXBLZVDNSA-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$SPLASH: splash10-053u-9300000000-a811f75917e3a09af57e
PK$NUM_PEAK: 62
PK$PEAK: m/z int. rel.int.
  27 10.8 108
  29 13.2 132
  31 30 300
  39 13.4 134
  41 35.8 358
  42 4.7 47
  43 32 320
  44 4.3 43
  45 8.2 82
  53 14.8 148
  54 4 40
  55 45.2 452
  56 5 50
  57 12.8 128
  59 32 320
  65 3.7 37
  67 35.8 358
  68 14 140
  69 32.5 325
  70 8.8 88
  71 5.3 53
  72 21 210
  73 4.7 47
  74 25.6 256
  77 7.3 73
  79 26.7 267
  80 17.2 172
  81 99.99 999
  82 44.6 446
  83 31 310
  85 14.7 147
  87 13.5 135
  91 5.7 57
  93 72 720
  94 21 210
  95 28.6 286
  96 14.7 147
  97 8.2 82
  98 16.5 165
  99 15.3 153
  107 24 240
  108 18.2 182
  109 19.6 196
  110 5.7 57
  111 34.8 348
  112 5.3 53
  122 8.3 83
  123 26.6 266
  124 20.8 208
  125 23.5 235
  127 3.8 38
  135 18.6 186
  136 5.6 56
  140 30.2 302
  141 6 60
  142 8.7 87
  143 23.6 236
  147 4 40
  153 9 90
  156 17.8 178
  165 4.5 45
  167 5.2 52
//