ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP002215
RECORD_TITLE: 2-PROPYLPENTANOIC ACID METHYL ESTER; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: KOGA M, UNIV. OF OCCUPATIONAL AND ENVIRONMENTAL HEALTH
LICENSE: CC BY-NC-SA

CH$NAME: 2-PROPYLPENTANOIC ACID METHYL ESTER
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₉H₁₈O₂
CH$EXACT_MASS: 158.13068
CH$SMILES: CCCC(CCC)C(=O)OC
CH$IUPAC: InChI=1S/C9H18O2/c1-4-6-8(7-5-2)9(10)11-3/h8H,4-7H2,1-3H3
CH$LINK: COMPTOX DTXSID40334210
CH$LINK: INCHIKEY WPRYUWYMOZQHIY-UHFFFAOYSA-N
CH$LINK: PUBCHEM CID:519972

AC$INSTRUMENT: JEOL JMS-01-SG
AC$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$SPLASH: splash10-052r-9100000000-bf6b9f29bfbf3f101478
PK$NUM_PEAK: 28
PK$PEAK: m/z int. rel.int.
  43 1 10
  51 0.7 7
  53 2.4 24
  54 0.1 1
  55 16.7 167
  56 3.2 32
  57 40.2 402
  58 0.07 1
  67 0.7 7
  69 4.2 42
  70 0.7 7
  78 0.07 1
  79 1 10
  83 5.3 53
  84 2.1 21
  87 99.99 999
  88 6.7 67
  91 1.4 14
  93 1 10
  97 0.21 2
  98 0.7 7
  99 4.6 46
  115 7.4 74
  116 4.41 44
  117 3.2 32
  127 5.6 56
  129 6 60
  130 0.7 7
//