ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP006427
RECORD_TITLE: METHYL 2-HEPTENOATE; 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$NAME: METHYL 2-HEPTENOATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₈H₁₄O₂
CH$EXACT_MASS: 142.09938
CH$SMILES: CCCCC=CC(=O)OC
CH$IUPAC: InChI=1S/C8H14O2/c1-3-4-5-6-7-8(9)10-2/h6-7H,3-5H2,1-2H3/b7-6+
CH$LINK: INCHIKEY IQQDLHGWGKEQDS-VOTSOKGWSA-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$SPLASH: splash10-06rl-9200000000-0c0aee09409e7fa0c249
PK$NUM_PEAK: 57
PK$PEAK: m/z int. rel.int.
  14 2.25 23
  15 17.88 179
  26 3.96 40
  27 50.2 502
  29 21.54 215
  30 1.27 13
  31 2.95 30
  38 3.34 33
  39 49.34 493
  40 1.51 15
  41 84.58 846
  42 10.05 101
  43 30.77 308
  44 1.11 11
  45 5.05 51
  50 2.4 24
  51 4.86 49
  52 2.87 29
  53 26.34 263
  54 11 110
  55 99.99 999
  56 28.5 285
  57 2.87 29
  58 2.18 22
  59 31.72 317
  60 1.07 11
  65 1.97 20
  66 1.4 14
  67 8.42 84
  68 36.88 369
  69 35.47 355
  70 2.41 24
  71 11.03 110
  72 2.09 21
  73 1.18 12
  74 40.07 401
  75 1.71 17
  77 1.61 16
  79 2.63 26
  81 25.12 251
  82 20.44 204
  83 5.58 56
  85 8.28 83
  87 95.59 956
  88 6.18 62
  95 1.9 19
  99 2.45 25
  100 15.21 152
  101 17.36 174
  110 21.08 211
  111 46.5 465
  112 3.27 33
  113 59.14 591
  114 4.55 46
  127 3.24 32
  142 10.88 109
  143 1.53 15
//