MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP008212
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP008212
RECORD_TITLE: (2E,6Z)-2,6-NONADIENAL; 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$NAME: (2E,6Z)-2,6-NONADIENAL
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C9H14O
CH$EXACT_MASS: 138.10447
CH$SMILES: CCC([H])=C([H])CCC([H])=C([H])C=O
CH$IUPAC: InChI=1S/C9H14O/c1-2-3-4-5-6-7-8-9-10/h3-4,7-9H,2,5-6H2,1H3/b4-3+,8-7-
CH$LINK: INCHIKEY
HZYHMHHBBBSGHB-UTUPVWNLSA-N
AC$INSTRUMENT: HITACHI M-80
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: splash10-01bc-9000000000-51b8bdf2de3bfeb16e26
PK$NUM_PEAK: 16
PK$PEAK: m/z int. rel.int.
41 99.99 999
42 6.17 62
53 5.29 53
54 3.24 32
67 15.71 157
68 6.47 65
69 85.29 853
70 94.12 941
71 6.17 62
79 3.24 32
80 2.35 24
81 4.71 47
83 1.47 15
91 1.18 12
95 3.24 32
109 2.94 29
//