MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP006467
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP006467
RECORD_TITLE: HEXYL 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$NAME: HEXYL FORMATE
CH$NAME: FORMIC ACID HEXYL ESTER
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C7H14O2
CH$EXACT_MASS: 130.09938
CH$SMILES: CCCCCCOC=O
CH$IUPAC: InChI=1S/C7H14O2/c1-2-3-4-5-6-9-7-8/h7H,2-6H2,1H3
CH$LINK: COMPTOX
DTXSID8060870
CH$LINK: INCHIKEY
OUGPMNMLWKSBRI-UHFFFAOYSA-N
CH$LINK: PUBCHEM
CID:61177
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$SPLASH: splash10-0a4l-9000000000-d682a6e12d33e8c3346c
PK$NUM_PEAK: 27
PK$PEAK: m/z int. rel.int.
15 1.05 11
26 1.6 16
27 25.29 253
28 7.81 78
29 32.26 323
31 26.68 267
39 16.81 168
40 2.95 30
41 46.58 466
42 43 430
43 44.53 445
44 2.7 27
45 2.45 25
47 2.38 24
53 2.28 23
54 4.35 44
55 47.35 474
56 99.99 999
57 6.95 70
59 1.06 11
67 1.38 14
69 28.13 281
70 1.46 15
73 1.36 14
84 14.6 146
85 1.24 12
87 2.29 23
//