ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP006532
RECORD_TITLE: ALLYL 4-METHYLPENTANOATE; 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$NAME: ALLYL 4-METHYLPENTANOATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₉H₁₆O₂
CH$EXACT_MASS: 156.11503
CH$SMILES: C=CCOC(=O)CCC(C)C
CH$IUPAC: InChI=1S/C9H16O2/c1-4-7-11-9(10)6-5-8(2)3/h4,8H,1,5-7H2,2-3H3
CH$LINK: INCHIKEY HXQZJNMRGBBCDJ-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$SPLASH: splash10-0006-9000000000-e58e80fd8fa336cca8c7
PK$NUM_PEAK: 39
PK$PEAK: m/z int. rel.int.
  15 1.93 19
  26 2.35 24
  27 23.78 238
  29 17.08 171
  31 1.59 16
  38 1.72 17
  39 35.71 357
  40 3.93 39
  41 99.99 999
  42 9.12 91
  43 86.93 869
  44 2.47 25
  45 1.49 15
  53 3.23 32
  54 7.31 73
  55 33.9 339
  56 12.24 122
  57 14.45 145
  58 6.2 62
  59 1.09 11
  60 3.89 39
  67 1.23 12
  68 1.45 15
  69 18.85 189
  70 3.4 34
  71 23.56 236
  72 1.52 15
  73 9.35 94
  81 39.41 394
  82 4.1 41
  83 2.77 28
  85 1.1 11
  95 3.29 33
  97 7.63 76
  99 47.81 478
  100 21.58 216
  101 2.02 20
  113 3.57 36
  115 1.67 17
//