ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP001484
RECORD_TITLE: PELARGONALDEHYDE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: YAMAMOTO M, DEP. CHEMISTRY, FAC. SCIENCE, NARA WOMEN'S UNIV.
LICENSE: CC BY-NC-SA

CH$NAME: PELARGONALDEHYDE
CH$NAME: NONANAL
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₉H₁₈O
CH$EXACT_MASS: 142.13577
CH$SMILES: CCCCCCCCC=O
CH$IUPAC: InChI=1S/C9H18O/c1-2-3-4-5-6-7-8-9-10/h9H,2-8H2,1H3
CH$LINK: INCHIKEY GYHFUZHODSMOHU-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID9021639

AC$INSTRUMENT: HITACHI RMU-6M
AC$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$SPLASH: splash10-052f-9000000000-7bfee629e196af9e810a
PK$NUM_PEAK: 48
PK$PEAK: m/z int. rel.int.
  15 3.84 38
  26 2.69 27
  27 50.16 502
  28 11.64 116
  29 65.25 653
  30 2.3 23
  31 3.38 34
  32 1.27 13
  38 1.19 12
  39 31.64 316
  40 5.45 55
  41 99.99 999
  42 31.62 316
  43 83.46 835
  44 63.68 637
  45 18.49 185
  50 1.12 11
  51 2.19 22
  52 1.04 10
  53 7.26 73
  54 15.05 151
  55 54.68 547
  56 67.01 670
  57 72.11 721
  58 5.64 56
  65 1.56 16
  66 3.8 38
  67 19.29 193
  68 28.63 286
  69 31.92 319
  70 35.25 353
  71 11.51 115
  72 7.41 74
  79 1.65 17
  81 20.47 205
  82 26.22 262
  83 8.74 87
  84 1.81 18
  85 3.19 32
  86 2.76 28
  95 17.55 176
  96 17.72 177
  97 2.12 21
  98 36.04 360
  99 5.19 52
  109 2.03 20
  114 8.05 81
  124 6.76 68
//