MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP005302
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP005302
RECORD_TITLE: HEXANOIC ACID METHYL ESTER; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: YAMAMOTO M, DEP. CHEMISTRY, FAC. SCIENCE, NARA WOMEN'S UNIV.
LICENSE: CC BY-NC-SA
CH$NAME: HEXANOIC ACID METHYL ESTER
CH$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$INSTRUMENT: HITACHI RMU-6M
AC$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$SPLASH: splash10-00di-9000000000-1c6d18f72b4323dcbb3d
PK$NUM_PEAK: 30
PK$PEAK: m/z int. rel.int.
15 11.76 118
26 1.12 11
27 12.97 130
28 3.26 33
29 12.22 122
31 2.05 21
39 8.58 86
40 1.49 15
41 17.45 175
42 6.34 63
43 28.28 283
44 1.49 15
45 1.77 18
53 1.3 13
55 7.09 71
56 1.21 12
57 3.26 33
59 12.22 122
69 2.24 22
70 2.24 22
71 8.31 83
73 1.21 12
74 99.99 999
75 5.04 50
83 28.65 287
84 3.54 35
99 18.66 187
100 1.3 13
101 6.7 67
130 1.21 12
//