ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP007184
RECORD_TITLE: ISOPROPYL 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$NAME: ISOPROPYL VALERATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₈H₁₆O₂
CH$EXACT_MASS: 144.11503
CH$SMILES: CCCCC(=O)OC(C)C
CH$IUPAC: InChI=1S/C8H16O2/c1-4-5-6-8(9)10-7(2)3/h7H,4-6H2,1-3H3
CH$LINK: INCHIKEY OCAIYHCKLADPEG-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID10171457

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$SPLASH: splash10-052o-9100000000-c6c0fb7407fd03195a8d
PK$NUM_PEAK: 30
PK$PEAK: m/z int. rel.int.
  15 3.06 31
  26 2.53 25
  27 28.95 290
  29 25.15 252
  31 1.38 14
  39 17.43 174
  41 48.44 484
  42 13.86 139
  43 99.99 999
  44 3.57 36
  45 5.36 54
  53 1.12 11
  55 8.43 84
  56 8.22 82
  57 54.08 541
  58 2.5 25
  59 24.4 244
  60 53.41 534
  61 4.96 50
  73 18.32 183
  74 1.62 16
  75 2.9 29
  83 1.18 12
  85 95.42 954
  86 5.42 54
  87 1.67 17
  102 30.2 302
  103 39.67 397
  104 1.71 17
  129 5.17 52
//