MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP001484
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP001484
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 70 eV
MS$FOCUSED_ION: ION_TYPE [M]+*
PK$SPLASH: splash10-052f-9000000000-7bfee629e196af9e810a
PK$NUM_PEAK: 48
PK$PEAK: m/z int. rel.int.
15 3.84 38
26 2.69 27
27 50.16 502
28 11.64 116
29 65.25 653
30 2.3 23
31 3.38 34
32 1.27 13
38 1.19 12
39 31.64 316
40 5.45 55
41 99.99 999
42 31.62 316
43 83.46 835
44 63.68 637
45 18.49 185
50 1.12 11
51 2.19 22
52 1.04 10
53 7.26 73
54 15.05 151
55 54.68 547
56 67.01 670
57 72.11 721
58 5.64 56
65 1.56 16
66 3.8 38
67 19.29 193
68 28.63 286
69 31.92 319
70 35.25 353
71 11.51 115
72 7.41 74
79 1.65 17
81 20.47 205
82 26.22 262
83 8.74 87
84 1.81 18
85 3.19 32
86 2.76 28
95 17.55 176
96 17.72 177
97 2.12 21
98 36.04 360
99 5.19 52
109 2.03 20
114 8.05 81
124 6.76 68
//
system version 2.2.8-SNAPSHOT