MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP006468
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP006468
RECORD_TITLE: HEPTYL FORMATE; 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$NAME: HEPTYL FORMATE
CH$NAME: FORMIC ACID HEPTYL ESTER
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C8H16O2
CH$EXACT_MASS: 144.11503
CH$SMILES: CCCCCCCOC=O
CH$IUPAC: InChI=1S/C8H16O2/c1-2-3-4-5-6-7-10-8-9/h8H,2-7H2,1H3
CH$LINK: INCHIKEY
XEAMDSXSXYAICO-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID9059416
AC$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: splash10-0596-9000000000-0a8140eee1ea9cb86948
PK$NUM_PEAK: 34
PK$PEAK: m/z int. rel.int.
15 1.26 13
26 1.75 18
27 32.26 323
28 10.46 105
29 44.95 450
30 1.58 16
31 33.96 340
39 22.37 224
40 4.15 42
41 84.74 847
42 45.73 457
43 44.55 446
44 3.1 31
45 2.99 30
47 3.12 31
51 1.26 13
53 4.24 42
54 8.34 83
55 63.97 640
56 99.99 999
57 24.29 243
58 1.13 11
59 1.03 10
67 2.93 29
68 15.07 151
69 54.65 547
70 95.08 951
71 5.08 51
73 1.71 17
83 8.98 90
84 1.24 12
87 2.37 24
98 10.01 100
99 1.03 10
//