ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP010933
RECORD_TITLE: 9-HYDROXY-7-NONANAL; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: KURARAY CO., LTD.
LICENSE: CC BY-NC-SA

CH$NAME: 9-HYDROXY-7-NONANAL
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₉H₁₆O₂
CH$EXACT_MASS: 156.11503
CH$SMILES: OCC=CCCCCCC=O
CH$IUPAC: InChI=1S/C9H16O2/c10-8-6-4-2-1-3-5-7-9-11/h4,6,9-10H,1-3,5,7-8H2/b6-4+
CH$LINK: INCHIKEY FWMKRIYREKTLSC-GQCTYLIASA-N

AC$INSTRUMENT: JEOL JMS-D-300
AC$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$SPLASH: splash10-0a6u-9000000000-c5edda4f4220a2ad764d
PK$NUM_PEAK: 49
PK$PEAK: m/z int. rel.int.
  27 25.2 252
  29 38.9 389
  31 13.8 138
  39 22.3 223
  41 56 560
  42 13.4 134
  43 33.5 335
  44 20.2 202
  45 5.5 55
  51 2.3 23
  53 12 120
  54 33.4 334
  55 43.3 433
  56 6.5 65
  57 99.99 999
  58 8.1 81
  65 2.9 29
  66 5.9 59
  67 45.6 456
  68 19.1 191
  69 18.6 186
  70 20.1 201
  71 14.1 141
  72 2.3 23
  77 3.6 36
  78 3 30
  79 39.3 393
  80 9.6 96
  81 26.2 262
  82 17.8 178
  83 21.2 212
  84 49.5 495
  85 4.7 47
  91 7.8 78
  92 6.5 65
  93 6.5 65
  94 29 290
  95 35.5 355
  96 9.3 93
  97 9.8 98
  98 1.9 19
  105 4.7 47
  107 2 20
  109 9.8 98
  110 4.8 48
  111 1.9 19
  112 2 20
  123 3.1 31
  138 1.9 19
//