ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP007273
RECORD_TITLE: PROPYL 5-METHOXY-3-OXOPENTANOATE; 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$NAME: PROPYL 5-METHOXY-3-OXOPENTANOATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₉H₁₆O₄
CH$EXACT_MASS: 188.10486
CH$SMILES: CCCOC(=O)CC(=O)CCOC
CH$IUPAC: InChI=1S/C9H16O4/c1-3-5-13-9(11)7-8(10)4-6-12-2/h3-7H2,1-2H3
CH$LINK: INCHIKEY ANORNWNGPBBCKZ-UHFFFAOYSA-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$SPLASH: splash10-0k9e-9200000000-576fda857a25b60a5204
PK$NUM_PEAK: 32
PK$PEAK: m/z int. rel.int.
  41 10.7 107
  42 9 90
  43 50 500
  44 0.28 3
  45 99.99 999
  55 23.6 236
  56 2.4 24
  57 0.21 2
  58 13.8 138
  59 13.8 138
  60 9.7 97
  61 0.4 4
  69 7.8 78
  70 2.4 24
  71 2.6 26
  72 0.33 3
  83 2.4 24
  84 2.4 24
  85 19.4 194
  86 0.31 3
  87 79.2 792
  88 2.4 24
  96 3.8 38
  97 0.52 5
  98 9.5 95
  100 70.8 708
  101 1.9 19
  145 0.38 4
  156 2.6 26
  170 4.3 43
  173 1.9 19
  188 1.7 17
//