ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP009179
RECORD_TITLE: VALERIC ACID; 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$NAME: VALERIC ACID
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₅H₁₀O₂
CH$EXACT_MASS: 102.06808
CH$SMILES: CCCCC(O)=O
CH$IUPAC: InChI=1S/C5H10O2/c1-2-3-4-5(6)7/h2-4H2,1H3,(H,6,7)
CH$LINK: COMPTOX DTXSID7021655
CH$LINK: INCHIKEY NQPDZGIKBAWPEJ-UHFFFAOYSA-N
CH$LINK: PUBCHEM CID:7991

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$SPLASH: splash10-03di-9000000000-2160417549a364f722df
PK$NUM_PEAK: 23
PK$PEAK: m/z int. rel.int.
  15 1.78 18
  18 1.98 20
  26 3.19 32
  27 25.05 251
  28 8.4 84
  29 21.5 215
  31 2.07 21
  38 1.08 11
  39 12.87 129
  40 1.34 13
  41 21.36 214
  42 10.1 101
  43 9.63 96
  45 13.84 138
  53 1.08 11
  55 7.75 78
  56 4.02 40
  57 2.09 21
  60 99.99 999
  61 3.08 31
  73 35.27 353
  74 2.23 22
  87 1.46 15
//