ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP007269
RECORD_TITLE: PROPYL (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$NAME: PROPYL (3S)-3-HYDROXY-5-METHOXYPENTANOATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₉H₁₈O₄
CH$EXACT_MASS: 190.12051
CH$SMILES: CCCOC(=O)CC(O)CCOC
CH$IUPAC: InChI=1S/C9H18O4/c1-3-5-13-9(11)7-8(10)4-6-12-2/h8,10H,3-7H2,1-2H3/t8-/m0/s1
CH$LINK: INCHIKEY MWNWLBWZVDQQGO-QMMMGPOBSA-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$SPLASH: splash10-001a-9200000000-071abe0b0989832a9bb3
PK$NUM_PEAK: 52
PK$PEAK: m/z int. rel.int.
  39 6.7 67
  40 2.8 28
  41 15.9 159
  42 1.82 18
  43 40.9 409
  44 2.2 22
  45 60.6 606
  46 0.18 2
  54 2.4 24
  55 3.9 39
  56 8.1 81
  57 0.85 9
  58 8.7 87
  59 9.9 99
  60 18.2 182
  61 1.67 17
  68 2.8 28
  69 3.6 36
  70 11.2 112
  71 3.94 39
  72 5.7 57
  73 7.5 75
  74 2 20
  81 0.3 3
  82 2.2 22
  84 62.9 629
  85 18.9 189
  86 0.43 4
  87 19.7 197
  88 2.8 28
  89 99.99 999
  90 0.71 7
  97 23.5 235
  98 26.5 265
  99 14.4 144
  100 0.81 8
  101 9.1 91
  102 22 220
  103 3.9 39
  112 0.3 3
  113 27.3 273
  114 3.6 36
  115 3.2 32
  116 2.88 29
  117 3.6 36
  129 44.7 447
  130 3.9 39
  131 5.53 55
  132 5.3 53
  158 3.2 32
  172 4.1 41
  191 2.2 22
//