MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP009327
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
//
system version 2.2.8-SNAPSHOT