MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP005747
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP005747
RECORD_TITLE: L-LEUCINE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: MASS SPECTROSCOPY SOC. OF JAPAN (MSSJ)
LICENSE: CC BY-NC-SA
CH$NAME: L-LEUCINE
CH$NAME: (S)-(+)-LEUCINE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C6H13NO2
CH$EXACT_MASS: 131.09463
CH$SMILES: CC(C)CC([H])(N)C(O)=O
CH$IUPAC: InChI=1S/C6H13NO2/c1-4(2)3-5(7)6(8)9/h4-5H,3,7H2,1-2H3,(H,8,9)/t5-/m0/s1
CH$LINK: CAS
61-90-5
CH$LINK: INCHIKEY
ROHFNLRQFUQHCH-YFKPBYRVSA-N
CH$LINK: COMPTOX
DTXSID9023203
AC$INSTRUMENT: HITACHI M-80
AC$INSTRUMENT_TYPE: EI-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION_ENERGY 20 eV
MS$FOCUSED_ION: ION_TYPE [M]+*
PK$SPLASH: splash10-0019-9000000000-6e468213b3429cf627bc
PK$NUM_PEAK: 27
PK$PEAK: m/z int. rel.int.
15 2.6 26
16 2 20
17 2.3 23
25 2.6 26
30 65.5 655
38 3.2 32
43 3.3 33
44 31.6 316
49 2 20
55 3.2 32
57 3.2 32
74 20.2 202
75 4.6 46
80 2 20
82 2.6 26
86 99.99 999
87 5.4 54
89 2.3 23
101 2.4 24
102 2.7 27
110 2 20
111 2 20
113 3.2 32
114 3.2 32
129 2.9 29
131 3 30
132 2.1 21
//