ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP004254
RECORD_TITLE: 2-OCTENOIC ACID METHYL ESTER; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: KOGA M, UNIV. OF OCCUPATIONAL AND ENVIRONMENTAL HEALTH
LICENSE: CC BY-NC-SA
CH$NAME: 2-OCTENOIC ACID METHYL ESTER
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C9H16O2
CH$EXACT_MASS: 156.11503
CH$SMILES: CCCCCC=CC(=O)OC
CH$IUPAC: InChI=1S/C9H16O2/c1-3-4-5-6-7-8-9(10)11-2/h7-8H,3-6H2,1-2H3/b8-7+
CH$LINK: INCHIKEY CJBQSBZJDJHMLF-BQYQJAHWSA-N
CH$LINK: COMPTOX DTXSID00223919
AC$INSTRUMENT: JEOL JMS-01-SG
AC$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$SPLASH: splash10-052u-9200000000-00c457555a207dbda5c5
PK$NUM_PEAK: 59
PK$PEAK: m/z int. rel.int.
  39 18.2 182
  40 4.5 45
  41 51.4 514
  42 1.98 20
  43 4.8 48
  50 1.6 16
  51 2.1 21
  52 0.16 2
  53 12.6 126
  54 6.1 61
  55 76 760
  56 1.31 13
  57 11.7 117
  58 1.6 16
  59 8.5 85
  60 0.13 1
  65 1.8 18
  66 1.3 13
  67 10.9 109
  68 2.43 24
  69 20.6 206
  70 12.3 123
  71 5.3 53
  72 0.34 3
  74 18.4 184
  75 3.2 32
  77 1.8 18
  79 0.16 2
  80 0.5 5
  81 17.9 179
  82 33.2 332
  83 1.15 12
  84 1.3 13
  85 5.6 56
  87 99.99 999
  88 0.85 9
  91 0.5 5
  92 0.5 5
  93 0.5 5
  95 0.69 7
  96 22.7 227
  97 4 40
  99 2.4 24
  100 1.93 19
  101 22.7 227
  102 1.6 16
  106 0.5 5
  109 0.13 1
  113 38.3 383
  114 12.3 123
  115 2.9 29
  124 2.84 28
  125 41 410
  126 3.4 34
  127 5.6 56
  128 0.13 1
  141 1.8 18
  156 3.2 32
  157 0.5 5
//
