MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP008223
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP008223
RECORD_TITLE: TRIDECANAL; 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$NAME: TRIDECANAL
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C13H26O
CH$EXACT_MASS: 198.19837
CH$SMILES: CCCCCCCCCCCCC=O
CH$IUPAC: InChI=1S/C13H26O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14/h13H,2-12H2,1H3
CH$LINK: INCHIKEY
BGEHHAVMRVXCGR-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID4021682
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$SPLASH: splash10-0apj-9100000000-b61d4f5b308532d094c4
PK$NUM_PEAK: 34
PK$PEAK: m/z int. rel.int.
41 9.54 95
42 9.83 98
44 55.78 558
45 34.1 341
54 19.65 197
55 65.9 659
56 41.91 419
57 70.23 702
58 4.65 47
66 10.12 101
67 52.63 526
68 61.14 611
70 29.41 294
71 21.6 216
80 12.15 122
81 31.23 312
82 99.99 999
83 49.35 494
84 15.37 154
91 3.45 35
94 5.76 58
95 37.54 375
96 52.85 529
97 33.23 332
98 8.64 86
99 6.37 64
107 5.75 58
109 15.84 158
110 23.46 235
111 8.92 89
123 9.23 92
124 13.23 132
152 17.33 173
154 9.56 96
//
system version 2.2.6-SNAPSHOT