ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP002886
RECORD_TITLE: N-NONANONITRILE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: MASS SPECTROSCOPY SOC. OF JAPAN (MSSJ)
LICENSE: CC BY-NC-SA

CH$NAME: N-NONANONITRILE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₉H₁₇N
CH$EXACT_MASS: 139.13610
CH$SMILES: CCCCCCCCC#N
CH$IUPAC: InChI=1S/C9H17N/c1-2-3-4-5-6-7-8-9-10/h2-8H2,1H3
CH$LINK: COMPTOX DTXSID6022183
CH$LINK: INCHIKEY PLZZPPHAMDJOSR-UHFFFAOYSA-N
CH$LINK: PUBCHEM CID:16715

AC$INSTRUMENT: Unknown
AC$INSTRUMENT_TYPE: EI-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE

MS$FOCUSED_ION: ION_TYPE [M]+*

PK$SPLASH: splash10-000y-9000000000-52563c1458dfb8265833
PK$NUM_PEAK: 31
PK$PEAK: m/z int. rel.int.
  27 34.76 348
  28 6.85 69
  29 50.48 505
  39 21.71 217
  41 99.99 999
  42 32.91 329
  43 69.07 691
  53 2.98 30
  54 59.77 598
  55 28.51 285
  56 13.55 136
  57 55.59 556
  67 10.51 105
  68 13.68 137
  69 58.82 588
  70 15.64 156
  71 11.48 115
  81 5.8 58
  82 73.77 738
  83 70.29 703
  84 10.91 109
  93 6.34 63
  95 3.44 34
  96 78.32 783
  97 53.78 538
  98 6.21 62
  109 5.17 52
  110 44.58 446
  111 20.16 202
  124 10.99 110
  138 3.49 35
//