MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP002579
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP002579
RECORD_TITLE: 4-NONANONE; 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$NAME: 4-NONANONE
CH$NAME: PENTYL PROPYL KETONE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C9H18O
CH$EXACT_MASS: 142.13577
CH$SMILES: CCCCCC(=O)CCC
CH$IUPAC: InChI=1S/C9H18O/c1-3-5-6-8-9(10)7-4-2/h3-8H2,1-2H3
CH$LINK: INCHIKEY
TYBCSQFBSWACAA-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID5063493
AC$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: splash10-0006-9000000000-ed1056ec4790ac686ee3
PK$NUM_PEAK: 25
PK$PEAK: m/z int. rel.int.
15 1.46 15
27 19.7 197
28 3.15 32
29 13.14 131
39 8.79 88
40 1.63 16
41 21.99 220
42 4.87 49
43 99.99 999
44 3.38 34
53 1.54 15
55 5.84 58
56 1.08 11
57 2.43 24
58 42.67 427
59 1.86 19
70 1.8 18
71 57.81 578
72 3.26 33
86 23.91 239
87 3.37 34
99 43.67 437
100 3.78 38
142 11.83 118
143 1.43 14
//