ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP007086
RECORD_TITLE: PROPYL 2-METHYLBUTYRATE; 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$NAME: PROPYL 2-METHYLBUTYRATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₈H₁₆O₂
CH$EXACT_MASS: 144.11503
CH$SMILES: CCCOC(=O)C(C)CC
CH$IUPAC: InChI=1S/C8H16O2/c1-4-6-10-8(9)7(3)5-2/h7H,4-6H2,1-3H3
CH$LINK: INCHIKEY TZFQMSDUSOTCJC-UHFFFAOYSA-N

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$SPLASH: splash10-0pdu-9100000000-1c59ecccd9fed67fec30
PK$NUM_PEAK: 30
PK$PEAK: m/z int. rel.int.
  15 1.07 11
  26 2.35 24
  27 27.07 271
  29 32.99 330
  30 1.2 12
  31 2.74 27
  39 14 140
  41 49.82 498
  42 11.2 112
  43 49.39 494
  44 1.23 12
  45 2.48 25
  53 1.22 12
  55 5.74 57
  56 11.38 114
  57 99.99 999
  58 4.63 46
  59 4.99 50
  69 1.27 13
  73 3.57 36
  74 25 250
  75 3.57 36
  85 68.29 683
  86 4.44 44
  87 12.81 128
  102 3.65 37
  103 70.05 701
  104 4.19 42
  115 1.96 20
  116 12.24 122
//