ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP004980
RECORD_TITLE: METHYL 11-HYDROXYUNDECANOATE; 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$NAME: METHYL 11-HYDROXYUNDECANOATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₂H₂₄O₃
CH$EXACT_MASS: 216.17254
CH$SMILES: OCCCCCCCCCCC(=O)OC
CH$IUPAC: InChI=1S/C12H24O3/c1-15-12(14)10-8-6-4-2-3-5-7-9-11-13/h13H,2-11H2,1H3
CH$LINK: INCHIKEY VASIFKMMXNGAGN-UHFFFAOYSA-N

AC$INSTRUMENT: JEOL JMS-D-3000
AC$INSTRUMENT_TYPE: EI-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION_ENERGY 15 eV

MS$FOCUSED_ION: ION_TYPE [M]+*

PK$SPLASH: splash10-00ea-9200000000-6fd37ec21507fd0579f9
PK$NUM_PEAK: 30
PK$PEAK: m/z int. rel.int.
  68 3.64 36
  69 7.71 77
  74 99.99 999
  75 36.09 361
  82 19.79 198
  83 8.4 84
  84 42.35 424
  85 4.22 42
  87 38.38 384
  88 2.64 26
  94 3.94 39
  95 5.93 59
  96 22.87 229
  97 9.93 99
  98 61.2 612
  99 5.93 59
  101 8.63 86
  109 3.38 34
  110 6.24 62
  111 5.75 58
  112 19.68 197
  115 4.78 48
  116 3.76 38
  122 6.26 63
  123 5.37 54
  124 15.18 152
  125 6.13 61
  128 4.86 49
  129 9.22 92
  130 3.38 34
//