ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP008678
RECORD_TITLE: TRANS-2-HEPTENAL; 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$NAME: TRANS-2-HEPTENAL
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₇H₁₂O
CH$EXACT_MASS: 112.08882
CH$SMILES: CCCCC=CC=O
CH$IUPAC: InChI=1S/C7H12O/c1-2-3-4-5-6-7-8/h5-7H,2-4H2,1H3/b6-5+
CH$LINK: INCHIKEY NDFKTBCGKNOHPJ-AATRIKPKSA-N
CH$LINK: COMPTOX DTXSID30880832

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$SPLASH: splash10-0a6u-9000000000-1e3da23b690c3ef7c024
PK$NUM_PEAK: 41
PK$PEAK: m/z int. rel.int.
  15 3.14 31
  26 5.34 53
  27 66.48 665
  28 9.53 95
  29 35.18 352
  31 1.07 11
  37 1.77 18
  38 5.1 51
  39 61.57 616
  40 8.96 90
  41 99.99 999
  42 21.82 218
  43 36.55 366
  44 1.9 19
  50 4.06 41
  51 7.22 72
  52 2.61 26
  53 14.46 145
  54 4.85 49
  55 59.16 592
  56 45.37 454
  57 50.13 501
  58 2.23 22
  63 1.25 13
  65 1.84 18
  66 1.38 14
  67 4.8 48
  68 28.46 285
  69 31.51 315
  70 35.44 354
  71 5.28 53
  77 1.57 16
  79 4.49 45
  81 4.12 41
  82 1.28 13
  83 65.23 652
  84 13.37 134
  94 3.61 36
  97 5 50
  111 1.4 14
  112 4.75 48
//