MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP008767
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP008767
RECORD_TITLE: NONANAL; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: UOEH
LICENSE: CC BY-NC-SA
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$LINK: CAS
124-19-6
CH$LINK: COMPTOX
DTXSID9021639
CH$LINK: INCHIKEY
GYHFUZHODSMOHU-UHFFFAOYSA-N
CH$LINK: PUBCHEM
CID:31289
AC$INSTRUMENT: HP 5970
AC$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$SPLASH: splash10-052f-9000000000-858f5f7c138a343dc472
PK$NUM_PEAK: 36
PK$PEAK: m/z int. rel.int.
39 36.76 368
40 8.18 82
41 99.99 999
42 27.94 279
43 67.13 671
44 49.68 497
45 14.2 142
51 2.16 22
52 1.47 15
53 7.79 78
54 12.59 126
55 49.28 493
56 50.5 505
57 81.16 812
58 5.2 52
65 1.9 19
66 3.37 34
67 18.39 184
68 25.62 256
69 24.6 246
70 30.07 301
71 11.86 119
72 5.1 51
79 2.19 22
81 18.29 183
82 22.67 227
83 6.73 67
85 2.17 22
86 1.96 20
95 14.51 145
96 13.48 135
97 1.86 19
98 19.41 194
99 3.2 32
114 4.23 42
124 2.13 21
//