ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP007267
RECORD_TITLE: PENTYL (3S)-3-HYDROXY-5-METHOXYPENTANOATE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: ITO S, DEPT. OF CHEM., TOHOKU UNIV.
LICENSE: CC BY-NC-SA

CH$NAME: PENTYL (3S)-3-HYDROXY-5-METHOXYPENTANOATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₁H₂₂O₄
CH$EXACT_MASS: 218.15181
CH$SMILES: CCCCCOC(=O)CC([H])(O)CCOC
CH$IUPAC: InChI=1S/C11H22O4/c1-3-4-5-7-15-11(13)9-10(12)6-8-14-2/h10,12H,3-9H2,1-2H3/t10-/m0/s1
CH$LINK: INCHIKEY HLHZXMVWWLTQHD-JTQLQIEISA-N

AC$INSTRUMENT: HITACHI M-52
AC$INSTRUMENT_TYPE: EI-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION_ENERGY 25 eV

MS$FOCUSED_ION: ION_TYPE [M]+*

PK$SPLASH: splash10-000e-9200000000-bdd3c433c5caac7ffee6
PK$NUM_PEAK: 48
PK$PEAK: m/z int. rel.int.
  39 7.9 79
  40 2.4 24
  41 20.6 206
  42 3.89 39
  43 72.5 725
  44 5.5 55
  45 83.2 832
  53 0.18 2
  54 2.8 28
  55 18.3 183
  56 8.1 81
  57 0.53 5
  58 8.7 87
  59 5.9 59
  60 9.7 97
  61 0.49 5
  68 3.9 39
  69 6.5 65
  70 31.3 313
  71 3.74 37
  72 5.1 51
  81 2.2 22
  82 2.4 24
  84 3.51 35
  85 12.4 124
  86 4.5 45
  87 15.3 153
  89 99.99 999
  90 4.5 45
  97 22.9 229
  98 31.3 313
  99 1.6 16
  100 12 120
  101 12.2 122
  102 3.6 36
  112 0.24 2
  113 26 260
  114 3.6 36
  115 5.1 51
  116 3.28 33
  117 7.9 79
  129 12.8 128
  130 8.9 89
  131 2.82 28
  132 2.4 24
  159 13 130
  200 1.6 16
  219 1.6 16
//