MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP007181
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP007181
RECORD_TITLE: METHYL VALERATE; 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$NAME: METHYL VALERATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C6H12O2
CH$EXACT_MASS: 116.08373
CH$SMILES: CCCCC(=O)OC
CH$IUPAC: InChI=1S/C6H12O2/c1-3-4-5-6(7)8-2/h3-5H2,1-2H3
CH$LINK: INCHIKEY
HNBDRPTVWVGKBR-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID9060784
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$SPLASH: splash10-05ic-9000000000-ea14ad55305a1e4329ac
PK$NUM_PEAK: 27
PK$PEAK: m/z int. rel.int.
15 14.89 149
26 3.39 34
27 23.82 238
29 32.26 323
30 1.16 12
31 4.09 41
38 1.02 10
39 14.14 141
41 32.89 329
42 8.47 85
43 36.73 367
44 2.23 22
45 3.39 34
53 1.53 15
55 14.07 141
56 6.65 67
57 35.66 357
58 1.38 14
59 22.61 226
73 1.13 11
74 99.99 999
75 3.56 36
85 34.21 342
86 1.4 14
87 31.04 310
88 2.34 23
101 1.62 16
//