MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP009228
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP009228
RECORD_TITLE: CIS-3-HEXENYL 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$NAME: CIS-3-HEXENYL LACTATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C9H16O3
CH$EXACT_MASS: 172.10994
CH$SMILES: CCC=CCCOC(=O)C(C)O
CH$IUPAC: InChI=1S/C9H16O3/c1-3-4-5-6-7-12-9(11)8(2)10/h4-5,8,10H,3,6-7H2,1-2H3/b5-4-
CH$LINK: INCHIKEY
NNLLMULULOBXBY-PLNGDYQASA-N
CH$LINK: COMPTOX
DTXSID20886469
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$SPLASH: splash10-00l5-9000000000-4bdaed6e668e3ddff00c
PK$NUM_PEAK: 32
PK$PEAK: m/z int. rel.int.
15 2.4 24
19 2.6 26
26 1.4 14
27 1.9 19
29 13.5 135
30 1 10
31 1.7 17
39 1.82 18
41 37.8 378
42 6.2 62
43 14.8 148
44 0.21 2
45 99.99 999
46 1.8 18
51 1.8 18
53 0.77 8
54 10 100
55 44.6 446
56 3.8 38
57 0.12 1
65 1.4 14
66 1.2 12
67 82.3 823
68 0.54 5
69 2.2 22
70 2.3 23
75 2 20
79 0.12 1
81 7.1 71
82 82.6 826
83 13.6 136
99 3.6 36
//