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MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP002549

N-AMYL BUTYRATE; EI-B; MS

Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk)

ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP002549
RECORD_TITLE: N-AMYL BUTYRATE; 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$NAME: N-AMYL BUTYRATE
CH$NAME: PENTYL BUTYRATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C9H18O2
CH$EXACT_MASS: 158.13068
CH$SMILES: CCCCCOC(=O)CCC
CH$IUPAC: InChI=1S/C9H18O2/c1-3-5-6-8-11-9(10)7-4-2/h3-8H2,1-2H3
CH$LINK: INCHIKEY CFNJLPHOBMVMNS-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID4041604

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$SPLASH: splash10-00dl-9000000000-6fa919338a6659829346
PK$NUM_PEAK: 34
PK$PEAK: m/z int. rel.int.
  15 1.78 18
  26 1.37 14
  27 24.8 248
  28 4.97 50
  29 17.33 173
  31 2.19 22
  39 10.33 103
  40 2.19 22
  41 34.04 340
  42 35.56 356
  43 98.77 988
  44 3.32 33
  45 1.59 16
  53 1.13 11
  55 24.45 245
  56 1.75 18
  57 1.67 17
  60 9.91 99
  61 3.24 32
  69 7.6 76
  70 79.52 795
  71 99.99 999
  72 4.63 46
  73 6.15 62
  85 1.67 17
  86 2.11 21
  87 1.41 14
  88 7.86 79
  89 71.85 719
  90 3.45 35
  101 5.17 52
  115 2.42 24
  130 1.8 18
  158 0.28 3
//

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