ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP007183
RECORD_TITLE: PROPYL VALERATE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: SODA AROMATIC CO., LTD.
LICENSE: CC BY-NC-SA

CH$NAME: PROPYL VALERATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₈H₁₆O₂
CH$EXACT_MASS: 144.11503
CH$SMILES: CCCCC(=O)OCCC
CH$IUPAC: InChI=1S/C8H16O2/c1-3-5-6-8(9)10-7-4-2/h3-7H2,1-2H3
CH$LINK: INCHIKEY ROJKPKOYARNFNB-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID90161513

AC$INSTRUMENT: HITACHI M-80B
AC$INSTRUMENT_TYPE: EI-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION_ENERGY 70 eV

MS$FOCUSED_ION: ION_TYPE [M]+*

PK$SPLASH: splash10-0m0f-9100000000-15e702dc79f3d55c1762
PK$NUM_PEAK: 31
PK$PEAK: m/z int. rel.int.
  15 1.57 16
  26 2.39 24
  27 33.87 339
  29 32.48 325
  30 1.34 13
  31 4.27 43
  39 15.88 159
  41 45.91 459
  42 19.57 196
  43 40.31 403
  44 1.09 11
  45 2.44 24
  53 1.14 11
  55 8.54 85
  56 6.92 69
  57 54.37 544
  58 2.14 21
  59 7.61 76
  60 34.52 345
  61 29.7 297
  73 18.91 189
  74 1.46 15
  75 4.36 44
  83 1.05 11
  85 99.99 999
  86 5.59 56
  87 2.8 28
  102 11.39 114
  103 68.34 683
  104 3.39 34
  115 4.58 46
//