ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP002138
RECORD_TITLE: PENTYL ACETATE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: TAJIMA S, GUNMA COLLEGE OF TECHNOLOGY
LICENSE: CC BY-NC-SA

CH$NAME: PENTYL ACETATE
CH$NAME: ACETIC ACID PENTYL ESTER
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₇H₁₄O₂
CH$EXACT_MASS: 130.09938
CH$SMILES: CCCCCOC(C)=O
CH$IUPAC: InChI=1S/C7H14O2/c1-3-4-5-6-9-7(2)8/h3-6H2,1-2H3
CH$LINK: INCHIKEY PGMYKACGEOXYJE-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID1027263

AC$INSTRUMENT: HITACHI RMU-7M
AC$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$SPLASH: splash10-0006-9000000000-9c8240a3cfc31061e3ff
PK$NUM_PEAK: 24
PK$PEAK: m/z int. rel.int.
  15 2.01 20
  27 17.18 172
  28 7.89 79
  29 47.99 480
  30 1.63 16
  31 39.4 394
  39 10.68 107
  40 2.86 29
  41 55.73 557
  42 99.99 999
  43 36.22 362
  44 17.03 170
  45 5.26 53
  53 1.93 19
  54 1.93 19
  55 69.5 695
  56 14.4 144
  57 22.06 221
  58 6.35 64
  61 2.71 27
  69 5.88 59
  70 38.85 389
  71 4.49 45
  73 1.63 16
//