MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP006398
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP006398
RECORD_TITLE: HEXYL PROPIONATE; 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$NAME: HEXYL PROPIONATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C9H18O2
CH$EXACT_MASS: 158.13068
CH$SMILES: CCCCCCOC(=O)CC
CH$IUPAC: InChI=1S/C9H18O2/c1-3-5-6-7-8-11-9(10)4-2/h3-8H2,1-2H3
CH$LINK: INCHIKEY
GOKKOFHHJFGZHW-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID5047582
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$SPLASH: splash10-0a6u-9000000000-1dbab7526fdc13ab4997
PK$NUM_PEAK: 28
PK$PEAK: m/z int. rel.int.
26 1.85 19
27 24.64 246
28 7.97 80
29 55.23 552
30 1.26 13
31 2.61 26
39 8.35 84
40 1.64 16
41 25.1 251
42 20.75 208
43 42.69 427
44 1.81 18
53 1.47 15
54 1.75 18
55 22.4 224
56 46.7 467
57 99.99 999
58 3.12 31
69 14.86 149
72 1.38 14
74 1.94 19
75 42.92 429
76 1.41 14
83 3.15 32
84 27.22 272
85 3.47 35
87 4.78 48
99 1.28 13
//