MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP003222
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP003222
RECORD_TITLE: METHYL HEXANOATE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: NAKATA H, DEPT. OF CHEMISTRY, AICHI KYOIKU UNIV.
LICENSE: CC BY-NC-SA
CH$NAME: METHYL HEXANOATE
CH$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$LINK: COMPTOX
DTXSID0047616
CH$LINK: INCHIKEY
NUKZAGXMHTUAFE-UHFFFAOYSA-N
CH$LINK: PUBCHEM
CID:7824
AC$INSTRUMENT: HITACHI RMU-7
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: splash10-059f-9000000000-5fd7dd35ac31db3ce698
PK$NUM_PEAK: 22
PK$PEAK: m/z int. rel.int.
39 19 190
40 5 50
41 31 310
42 26 260
43 75 750
44 6 60
55 49 490
56 5 50
57 12 120
58 5 50
59 50 500
68 8 80
69 7 70
71 20 200
72 5 50
74 99.99 999
75 9 90
87 68 680
88 8 80
99 39 390
101 22 220
130 6 60
//