MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP009223
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP009223
RECORD_TITLE: BUTYL LACTATE; 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$NAME: BUTYL LACTATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C7H14O3
CH$EXACT_MASS: 146.09429
CH$SMILES: CCCCOC(=O)C(C)O
CH$IUPAC: InChI=1S/C7H14O3/c1-3-4-5-10-7(9)6(2)8/h6,8H,3-5H2,1-2H3
CH$LINK: COMPTOX
DTXSID7042196
CH$LINK: INCHIKEY
MRABAEUHTLLEML-UHFFFAOYSA-N
CH$LINK: PUBCHEM
CID:8738
AC$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: splash10-0002-9000000000-9c99e5b0f34ee8b651db
PK$NUM_PEAK: 20
PK$PEAK: m/z int. rel.int.
15 1.6 16
19 1.6 16
26 1.2 12
27 1.1 11
29 16 160
30 1 10
31 1.5 15
32 0.14 1
39 4.5 45
41 18.2 182
42 1.7 17
43 0.83 8
44 1.6 16
45 99.99 999
46 2.1 21
55 0.27 3
56 8.8 88
57 20.7 207
75 4.5 45
85 5 50
//
system version 2.2.8-SNAPSHOT