MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP006984
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP006984
RECORD_TITLE: METHYL HEXANOATE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: SODA AROMATIC CO., LTD.
LICENSE: CC BY-NC-SA
CH$NAME: METHYL HEXANOATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C7H14O2
CH$EXACT_MASS: 130.09938
CH$SMILES: CCCCCC(=O)OC
CH$IUPAC: InChI=1S/C7H14O2/c1-3-4-5-6-7(8)9-2/h3-6H2,1-2H3
CH$LINK: INCHIKEY
NUKZAGXMHTUAFE-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID0047616
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$SPLASH: splash10-00dl-9000000000-a2223723dd919d58ae77
PK$NUM_PEAK: 27
PK$PEAK: m/z int. rel.int.
15 8.48 85
26 1.23 12
27 15.35 154
29 13.07 131
31 2.08 21
39 11.87 119
41 22.13 221
42 11.28 113
43 39.88 399
44 1.51 15
45 1.96 20
53 1.45 15
55 12.69 127
56 1.68 17
57 4.2 42
59 21.15 212
69 2.99 30
70 3.76 38
71 8.63 86
73 1.23 12
74 99.99 999
75 5.09 51
87 32.45 325
88 4.49 45
99 19.89 199
100 1.19 12
101 8.04 80
//