ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP008906
RECORD_TITLE: VALERIC ACID; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: YAMAMOTO M, DEP. CHEMISTRY, FAC. SCIENCE, NARA WOMEN'S UNIV.
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$LINK: INCHIKEY NQPDZGIKBAWPEJ-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID7021655

AC$INSTRUMENT: HITACHI RMU-6M
AC$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$SPLASH: splash10-03fr-9000000000-5ef705125c3c70ad3df3
PK$NUM_PEAK: 28
PK$PEAK: m/z int. rel.int.
  15 1.9 19
  26 4.2 42
  27 26.9 269
  28 1.18 12
  29 23.8 238
  30 1.4 14
  31 2.4 24
  38 0.18 2
  39 12.7 127
  40 1.4 14
  41 22 220
  42 1.04 10
  43 9.1 91
  45 9.8 98
  50 1.3 13
  51 0.12 1
  53 1.3 13
  55 6.7 67
  56 3.3 33
  57 0.28 3
  59 1.2 12
  60 99.99 999
  61 4.1 41
  73 3.69 37
  74 3.7 37
  85 1.4 14
  87 2.4 24
  102 0.8 8
//