ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP006396
RECORD_TITLE: ISOAMYL PROPIONATE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: HISAHIRO HAGIWARA, CHEMICAL RESEARCH INSTITUTE OF NON-AQUEOUSSOLUTIONS TOHOKU UNIV.
LICENSE: CC BY-NC-SA

CH$NAME: ISOAMYL PROPIONATE
CH$NAME: ISOPENTYL PROPIONATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₈H₁₆O₂
CH$EXACT_MASS: 144.11503
CH$SMILES: CCC(=O)OCCC(C)C
CH$IUPAC: InChI=1S/C8H16O2/c1-4-8(9)10-6-5-7(2)3/h7H,4-6H2,1-3H3
CH$LINK: INCHIKEY XAOGXQMKWQFZEM-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID5047613

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$SPLASH: splash10-0adi-9000000000-d33d7fd534a8c6063d88
PK$NUM_PEAK: 29
PK$PEAK: m/z int. rel.int.
  15 1.29 13
  26 2.06 21
  27 21.77 218
  28 7.65 77
  29 44.71 447
  30 1.11 11
  31 2.46 25
  39 9.49 95
  40 1.3 13
  41 19.1 191
  42 15.3 153
  43 34.04 340
  44 1.46 15
  45 1.83 18
  53 1.5 15
  54 1.17 12
  55 40.71 407
  56 4.49 45
  57 99.99 999
  58 3.66 37
  69 6.12 61
  70 69.45 695
  71 10.25 103
  74 1.64 16
  75 15.99 160
  85 1.75 18
  87 5.33 53
  101 6.18 62
  115 1.08 11
//