ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP009327
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 20 eV

MS$FOCUSED_ION: ION_TYPE [M]+*

PK$SPLASH: splash10-0a4l-9000000000-6653261e95803e235236
PK$NUM_PEAK: 45
PK$PEAK: m/z int. rel.int.
  27 1.6 16
  28 2.6 26
  29 11.5 115
  41 2.66 27
  42 18 180
  43 61.1 611
  44 73.4 734
  45 2.25 23
  54 14.9 149
  55 38.4 384
  56 87.5 875
  57 99.99 999
  58 6.8 68
  60 3.7 37
  66 4.2 42
  67 2.04 20
  68 41.3 413
  69 42.8 428
  70 52 520
  71 1.7 17
  72 11.2 112
  73 2.3 23
  81 24.3 243
  82 4.28 43
  83 13.1 131
  84 3.4 34
  85 4.4 44
  86 0.42 4
  87 1.6 16
  94 1.3 13
  95 27.4 274
  96 2.82 28
  97 3.4 34
  98 60.3 603
  99 8.4 84
  100 0.13 1
  109 3.1 31
  111 1 10
  113 1.3 13
  114 1.23 12
  115 1.6 16
  123 1 10
  124 9.4 94
  125 0.13 1
  142 1 10
//