ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP007274
RECORD_TITLE: BUTYL 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$NAME: BUTYL 5-METHOXY-3-OXOPENTANOATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₀H₁₈O₄
CH$EXACT_MASS: 202.12051
CH$SMILES: CCCCOC(=O)CC(=O)CCOC
CH$IUPAC: InChI=1S/C10H18O4/c1-3-4-6-14-10(12)8-9(11)5-7-13-2/h3-8H2,1-2H3
CH$LINK: INCHIKEY HNNOSSFFDRALPJ-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$SPLASH: splash10-0k95-9300000000-0f2b0ffd143343805b8e
PK$NUM_PEAK: 39
PK$PEAK: m/z int. rel.int.
  41 26.4 264
  42 7 70
  43 31.2 312
  44 0.28 3
  45 99.99 999
  55 24 240
  56 37.6 376
  57 2.72 27
  58 14.4 144
  59 8.4 84
  60 3.9 39
  69 0.62 6
  70 4.2 42
  71 3.5 35
  72 6.2 62
  83 0.31 3
  84 2.2 22
  85 28 280
  86 4.6 46
  87 7.76 78
  88 3.6 36
  96 3.4 34
  97 7.7 77
  98 1.04 10
  100 77.6 776
  101 8.4 84
  113 4.3 43
  114 0.9 9
  115 8.2 82
  116 3 30
  119 2.6 26
  127 0.66 7
  128 3.2 32
  129 13.6 136
  131 4.1 41
  143 0.23 2
  145 6.3 63
  184 3.8 38
  202 2 20
//