MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP006469
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP006469
RECORD_TITLE: OCTYL FORMATE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: HISAHIRO HAGIWARA, CHEMICAL RESEARCH INSTITUTE OF NON-AQUEOUSSOLUTIONS TOHOKU UNIV.
LICENSE: CC BY-NC-SA
CH$NAME: OCTYL FORMATE
CH$NAME: FORMIC ACID OCTYL ESTER
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C9H18O2
CH$EXACT_MASS: 158.13068
CH$SMILES: CCCCCCCCOC=O
CH$IUPAC: InChI=1S/C9H18O2/c1-2-3-4-5-6-7-8-11-9-10/h9H,2-8H2,1H3
CH$LINK: INCHIKEY
AVBRYQRTMPHARE-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID4059417
AC$INSTRUMENT: HITACHI M-80B
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-cbe2919f6eb92dc376af
PK$NUM_PEAK: 39
PK$PEAK: m/z int. rel.int.
15 1.58 16
18 1.7 17
19 1.2 12
26 1.72 17
27 35.76 358
28 11.38 114
29 56.84 568
30 1.46 15
31 39.92 399
39 25.1 251
40 4.53 45
41 99.99 999
42 55.04 550
43 75.3 753
44 3.66 37
45 3.3 33
47 3.55 36
51 1.27 13
53 5.28 53
54 7.44 74
55 86.5 865
56 95 950
57 30.75 308
58 1.32 13
59 1.24 12
67 5.93 59
68 20.81 208
69 56.47 565
70 74.08 741
71 10.61 106
73 1 10
81 1.14 11
82 11.38 114
83 47.3 473
84 57.43 574
85 3.15 32
87 2.07 21
97 3.7 37
112 5.16 52
//