MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP006905
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP006905
RECORD_TITLE: HEPTYL PROPIONATE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: TAJIMA S, GUNMA COLLEGE OF TECHNOLOGY
LICENSE: CC BY-NC-SA
CH$NAME: HEPTYL PROPIONATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C10H20O2
CH$EXACT_MASS: 172.14633
CH$SMILES: CCCCCCCOC(=O)CC
CH$IUPAC: InChI=1S/C10H20O2/c1-3-5-6-7-8-9-12-10(11)4-2/h3-9H2,1-2H3
CH$LINK: INCHIKEY
BGYICJVBGZQOCY-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID00176693
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$SPLASH: splash10-0a6r-9000000000-e153617a8287cd2b0284
PK$NUM_PEAK: 30
PK$PEAK: m/z int. rel.int.
26 1.49 15
27 22.86 229
28 8.09 81
29 57.9 579
30 1.16 12
31 2.29 23
39 8.5 85
40 1.59 16
41 31.26 313
42 16.13 161
43 21.93 219
53 1.54 15
54 2.8 28
55 24.5 245
56 42.49 425
57 99.99 999
58 2.87 29
68 3.55 36
69 18.12 181
70 33.29 333
71 1.71 17
72 1.38 14
74 1.69 17
75 42.26 423
76 1.09 11
83 2.93 29
87 3.1 31
97 2.06 21
98 18.01 180
99 1.02 10
//