MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP007409
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP007409
RECORD_TITLE: L-ALANINE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: YAMAMOTO M, DEP. CHEMISTRY, FAC. SCIENCE, NARA WOMEN'S UNIV.
LICENSE: CC BY-NC-SA
CH$NAME: L-ALANINE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C3H7NO2
CH$EXACT_MASS: 89.04768
CH$SMILES: CC(N)C(O)=O
CH$IUPAC: InChI=1S/C3H7NO2/c1-2(4)3(5)6/h2H,4H2,1H3,(H,5,6)/t2-/m0/s1
CH$LINK: CAS
56-41-7
CH$LINK: INCHIKEY
QNAYBMKLOCPYGJ-REOHCLBHSA-N
CH$LINK: COMPTOX
DTXSID20873899
AC$INSTRUMENT: HITACHI RMU-6M
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: splash10-00kf-9000000000-b2f7507be509a85d821b
PK$NUM_PEAK: 24
PK$PEAK: m/z int. rel.int.
13 1.04 10
14 3.91 39
15 23.74 237
16 1.6 16
17 4.34 43
18 99.45 995
19 2.79 28
25 1.12 11
26 7.78 78
27 23.41 234
28 71.1 711
29 8.14 81
30 4.8 48
38 1.98 20
39 3.35 34
40 10.42 104
41 16.81 168
42 52.58 526
43 16.71 167
44 99.99 999
45 13.8 138
46 7.89 79
55 2.99 30
74 9.15 92
//